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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | AVPR2 | P30518 | 4/20 | 0.46 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.46 |
| ▸ | OXTR | P30559 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7019987 | 0.97 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| SCHEMBL7020435 | 0.92 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| SCHEMBL7024716 | 0.91 | PDE4A (0.49) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| Hydrochloric Acid SCHEMBL7015174 | 0.91 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| SCHEMBL7022623 | 0.90 | TP53 (0.47) | PDE4APDE4BPDE4CPDE4DAVPR1A | |
| SCHEMBL7015026 | 0.90 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| SCHEMBL7022892 | 0.89 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| Hydrochloric Acid SCHEMBL7013685 | 0.89 | PDE4A (0.51) | PDE4APDE4BPDE4CPDE4DAVPR2 | |
| Hydrochloric Acid SCHEMBL7012996 | 0.89 | TP53 (0.46) | PDE4APDE4BPDE4CPDE4DAVPR1A | |
| SCHEMBL7020147 | 0.89 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DAVPR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051415-B1 | BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO (JP) | 2003-09-24 | — | — | EP | disclosed |
| US-6495542-B1 | SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-17 | — | — | US | disclosed |