SCHEMBL7019167

SCHEMBL7019167

COc1cc(C(=O)N2CCc3nc(C)[nH]c3-c3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.42
AVPR1A P37288 4/20 0.42
AVPR1B P47901 2/20 0.41
PDCD1 Q15116 6/20 0.39
CD274 Q9NZQ7 6/20 0.39
ROCK2 O75116 1/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7024085 0.99 AVPR2 (0.42) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL7017226 0.88 AVPR1A (0.45) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL7016285 0.87 AVPR1A (0.44) AVPR2AVPR1AAVPR1BPDCD1CD274
Hydrochloric Acid SCHEMBL7018912 0.86 AVPR1A (0.44) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL7018124 0.86 RPS6KA3 (0.42) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL7019311 0.86 ROCK2 (0.46) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL7022859 0.84 BRD4 (0.47) AVPR2AVPR1AAVPR1BROCK2PDE4A
SCHEMBL7019597 0.84 ROCK2 (0.46) AVPR2AVPR1AAVPR1BPDCD1CD274
SCHEMBL7019987 0.84 PDE4A (0.53) AVPR2AVPR1AAVPR1BROCK2PDE4A
SCHEMBL7020700 0.82 AVPR1A (0.40) AVPR2AVPR1AAVPR1BPDE4APDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed