Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 20/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 20/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8290900 | 0.95 | SLC6A4 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL7751548 | 0.94 | SLC6A4 (0.56) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL6957304 | 0.94 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL7077339 | 0.89 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL8452305 | 0.88 | SLC6A4 (0.58) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL8291781 | 0.85 | SLC6A3 (0.46) | SLC6A2SLC6A4SLC6A3CYP2D6CYP1A1 | |
| SCHEMBL7764201 | 0.85 | TACR1 (0.40) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL6544366 | 0.84 | SLC6A3 (0.38) | SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL7956526 | 0.82 | MEN1 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4630820 | 0.81 | MEN1 (0.39) | SLC6A2SLC6A4SLC6A3 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569933-B1 | PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-07-23 | — | — | EP | disclosed |
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-7271172-B2 | Pyrrolidine and azetidine compounds as CCR5 antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-18 | — | — | US | disclosed |
| US-6329392-B1 | ANTIALLERGENS | AVENTIS PHARMACEUTICALS, INC. | 2001-12-11 | — | — | US | disclosed |
| EP-0777666-B1 | SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | MERRELL PHARMA INC (US) | 1999-03-03 | — | — | EP | disclosed |
| US-5861416-A | TREATMENT OF ASTHMA OR COUGH | MERRELL PHARMACEUTICALS INC. (US) | 1999-01-19 | — | — | US | disclosed |
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |
| EP-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0777666-A1 | NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-11 | — | — | EP | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |
| WO-1996006094-A1 | NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-29 | — | — | WO | disclosed |
| EP-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |