SCHEMBL7014029

SCHEMBL7014029

COc1cc(C(=O)N2CCCCc3sccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.59
AVPR1B P47901 15/20 0.59
AVPR2 P30518 13/20 0.51
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7019987 0.88 PDE4A (0.53) AVPR1AAVPR1BAVPR2MAPT
SCHEMBL7023564 0.87 AVPR1A (0.44) AVPR1AAVPR1BAVPR2TP53MAPT
SCHEMBL7021681 0.86 AVPR1A (0.43) AVPR1AAVPR1BTP53MAPT
SCHEMBL7022623 0.86 TP53 (0.47) AVPR1AAVPR1BTP53MAPT
Hydrochloric Acid SCHEMBL7023272 0.86 AVPR1A (0.43) AVPR1AAVPR1BAVPR2TP53MAPT
Hydrochloric Acid SCHEMBL7017336 0.86 AVPR1A (0.43) AVPR1AAVPR1BTP53MAPT
Hydrochloric Acid SCHEMBL7012996 0.86 TP53 (0.46) AVPR1AAVPR1BTP53MAPT
SCHEMBL7017240 0.85 PDE4A (0.50) AVPR1AAVPR1BAVPR2
SCHEMBL7016824 0.85 AVPR1A (0.42) AVPR1AAVPR1BAVPR2TP53MAPT
SCHEMBL7016676 0.85 AVPR2 (0.46) AVPR1AAVPR1BAVPR2TP53MAPT

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