Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 2/20 | 0.32 |
| ▸ | TACR2 | P21452 | 5/20 | 0.32 |
| ▸ | CCR3 | P51677 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6577348 | 0.86 | TACR2 (0.33) | TACR2TACR1 | |
| SCHEMBL6580041 | 0.86 | TACR2 (0.33) | TACR2TACR1 | |
| SCHEMBL6582820 | 0.78 | ESRRA (0.35) | TACR2TACR1 | |
| SCHEMBL6577217 | 0.78 | TACR2 (0.32) | TACR2TACR1 | |
| SCHEMBL6577333 | 0.78 | TACR2 (0.32) | TACR2TACR1 | |
| SCHEMBL6579784 | 0.78 | ESRRA (0.38) | TACR2TACR1 | |
| SCHEMBL6579428 | 0.77 | SLC6A3 (0.37) | TACR2TACR1CCR3MCHR1 | |
| SCHEMBL6576781 | 0.76 | OPRD1 (0.35) | TACR2TACR1 | |
| SCHEMBL8574717 | 0.73 | TACR2 (0.42) | TACR2TACR1 | |
| SCHEMBL8567378 | 0.70 | TACR2 (0.39) | TACR2TACR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994876-B1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS | PFIZER LTD (GB) | 2004-09-08 | — | — | EP | disclosed |
| US-6380396-B1 | CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS | PFIZER INC. | 2002-04-30 | — | — | US | disclosed |
| US-6207678-B1 | USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS | PFIZER INC | 2001-03-27 | — | — | US | disclosed |
| EP-0994876-A1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS | Pfizer Limited (GB) | 2000-04-26 | — | — | EP | disclosed |
| WO-1998057972-A1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS | PFIZER LIMITED (GB) | 1998-12-23 | — | — | WO | disclosed |