Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7750561 | 0.95 | CYP2C19 (0.40) | ALDH1A1CYP2C19OPRL1OPRM1MEN1 | |
| SCHEMBL7314223 | 0.87 | OPRL1 (0.48) | OPRL1OPRM1OPRK1 | |
| SCHEMBL6543224 | 0.85 | OPRM1 (0.53) | ALDH1A1CYP2C19OPRL1OPRM1MEN1 | |
| SCHEMBL7752955 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP2C19MEN1KMT2ALMNA | |
| SCHEMBL7751873 | 0.81 | OPRM1 (0.44) | ALDH1A1CYP2C19OPRL1OPRM1MEN1 | |
| SCHEMBL7312540 | 0.81 | OPRM1 (0.51) | OPRL1OPRM1OPRK1 | |
| SCHEMBL7745680 | 0.81 | ENPP3 (0.41) | ALDH1A1CYP2C19OPRL1OPRM1POLB | |
| SCHEMBL8368965 | 0.80 | OPRM1 (0.59) | ALDH1A1CYP2C19OPRL1OPRM1POLB | |
| SCHEMBL7745885 | 0.79 | OPRM1 (0.41) | ALDH1A1CYP2C19OPRL1OPRM1MEN1 | |
| SCHEMBL4352116 | 0.77 | OPRL1 (0.63) | OPRL1OPRM1OPRK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294537-B1 | NEUROKININS USED FOR TREATMENT OF DISEASES | SANOFI-SYNTHELABO (FR) | 2001-09-25 | — | — | US | disclosed |
| US-6124316-A | ACTIVE DRUG TREATING PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, OF HYPERTENSION AND, NERVOUS SYSTEM DISORDERS | SANOFI (FR) | 2000-09-26 | — | — | US | disclosed |
| US-5965580-A | TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS | SANOFI (FR) | 1999-10-12 | — | — | US | disclosed |
| US-5942523-A | NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES | SANOFI (FR) | 1999-08-24 | — | — | US | disclosed |
| US-5939411-A | PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES | SANOFI (FR) | 1999-08-17 | — | — | US | disclosed |
| US-5830906-A | Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them | SANOFI (FR) | 1998-11-03 | — | — | US | disclosed |
| US-5741910-A | PIPERIDINE DERIVATIVE INTERMEDIATES | SANOFI (FR) | 1998-04-21 | — | — | US | disclosed |