Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | CCR3 | P51677 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.53 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5537485 | 1.00 | ACHE (0.60) | ACHELTA4HCCR3ALDH1A1HTR2A | |
| SCHEMBL5534146 | 1.00 | ACHE (0.60) | ACHELTA4HCCR3ALDH1A1HTR2A | |
| SCHEMBL27352867 | 0.90 | ALDH1A1 (0.71) | ACHEALDH1A1KDM4ESLC6A3SIGMAR1 | |
| SCHEMBL18922663 | 0.90 | SIGMAR1 (0.61) | LTA4HCCR3ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4255190 | 0.89 | ACHE (0.69) | ACHECCR3HTR2AKDM4ECYP1A2 | |
| SCHEMBL11227003 | 0.85 | GBA1 (0.61) | ACHECCR3ALDH1A1SLC6A3SIGMAR1 | |
| Hydrochloric Acid SCHEMBL28513963 | 0.84 | GBA1 (0.59) | ACHECCR3ALDH1A1SLC6A3SIGMAR1 | |
| SCHEMBL6799712 | 0.83 | L3MBTL1 (0.55) | LTA4H | |
| SCHEMBL6799707 | 0.83 | L3MBTL1 (0.55) | LTA4H | |
| SCHEMBL608225 | 0.82 | ALDH1A1 (0.81) | ACHELTA4HCCR3ALDH1A1CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015114660-A1 | NOVEL HETEROBICYCLIC COMPOUNDS AS KAPPA OPIOID AGONISTS | CADILA HEALTCHARE LIMITED (IN) | 2015-08-06 | — | — | WO | disclosed |
| CN-101263146-B | Anti-infective agents 8-methoxy-9H-isothiazolo [5,4-B ] quinoline-3, 4-dione and related compounds | ACHILLION PHARMACEUTICALS INC | 2012-12-05 | — | — | CN | disclosed |
| CN-101263146-A | Anti-infective agents 8-methoxy-9H-isothiazolo [5, 4-B ] quinoline-3, 4-dione and related compounds | ACHILLION PHARMACEUTICALS INC (US) | 2008-09-10 | — | — | CN | disclosed |
| CN-1310884-C | Process for the preparation of enantiomerically pure N-methyl-N- [ (1S) -1-phenyl-2- ((3S) -3-hydroxypyrrolidin-1-yl) ethyl ] -2, 2-diphenylacetamide | MERCK PATENT GMBH (DE) | 2007-04-18 | — | — | CN | disclosed |
| CN-1846696-A | Method for producing enantiomer-free n-methyl-n- [(1s)-1-phenyl- 2-((3s)- 3-hydroxypyrrolidine- 1-yl)ethyl]- 2,2-diphenyl acetamide | MERCK PATENT GMBH (DE) | 2006-10-18 | — | — | CN | disclosed |
| EP-1073634-B1 | METHOD FOR PRODUCING ENANTIOMERICALLY PURE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 2005-08-31 | — | — | EP | disclosed |
| CN-1297435-A | Process for the preparation of enantiomerically pure N-methyl-N- [ (1S) -1-phenyl-2- [ (3S) -3-hydroxypyrrolidin-1-yl) ethyl ] -2, 2-diphenylacetamide | MERCK PATENT GMBH (DE) | 2001-05-30 | — | — | CN | disclosed |
| EP-1073634-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GmbH (DE) | 2001-02-07 | — | — | EP | disclosed |
| EP-1073634-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GmbH (DE) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054298-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- [(1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |
| WO-1999054298-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- [(1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |
| EP-0777649-B1 | N- 2-(PYRROLIDINYL-1)-1-PHENYLETHYL]ACETAMIDES AS KAPPA RECEPTOR AGONISTS | PFIZER (US) | 1999-07-14 | — | — | EP | disclosed |
| US-5837720-A | N-2-(pyrrolidinyl-1)-1-phenethyl) acetamides as kappa receptor antagonists | PFIZER INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0777649-A1 | N- 2-(PYRROLIDINYL-1)-1-PHENYLETHYL]ACETAMIDES AS KAPPA RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996006077-A1 | N-[2-(PYRROLIDINYL-1)-1-PHENYLETHYL]ACETAMIDES AS KAPPA RECEPTOR ANTAGONISTS | PFIZER PHARMACEUTICALS INC. (JP) | 1996-02-29 | — | — | WO | disclosed |
| WO-1996006078-A1 | N-(2-(PYRROLIDINYL-1)-1-PHENYLETHYL)ACETAMIDES AS KAPPA RECEPTOR ANTAGONISTS | PFIZER PHARMACEUTICALS INC. (JP) | 1996-02-29 | — | — | WO | disclosed |