Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 17/20 | 0.54 |
| ▸ | TACR1 | P25103 | 15/20 | 0.54 |
| ▸ | TACR3 | P29371 | 8/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5677576 | 0.91 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7088993 | 0.91 | TACR2 (0.65) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7751540 | 0.88 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7315837 | 0.86 | TACR2 (0.57) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6951866 | 0.85 | TACR2 (0.62) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL24855520 | 0.83 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL31224112 | 0.83 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7380394 | 0.83 | TACR2 (0.61) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7944707 | 0.83 | TACR3 (0.47) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6543209 | 0.83 | TACR3 (0.47) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 6 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 |
| EP-0673928-B1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI SYNTHELABO (FR) | 2001-08-29 | — | — | EP | 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-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-5741910-A | PIPERIDINE DERIVATIVE INTERMEDIATES | SANOFI (FR) | 1998-04-21 | — | — | US | disclosed |
| EP-0673928-A1 | Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists | SANOFI (FR) | 1995-09-27 | — | — | EP | disclosed |