SCHEMBL7019710

SCHEMBL7019710

COc1cc(C(=O)N2CCCCc3cnccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.41
AVPR1B P47901 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
AVPR2 P30518 3/20 0.37
TP53 P04637 3/20 0.37
NR3C1 P04150 3/20 0.36
ALDH1A1 P00352 1/20 0.36
OXTR P30559 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7014179 0.95 AVPR1A (0.39) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7014299 0.92 PDE4A (0.48) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019411 0.88 AVPR1A (0.55) AVPR1AAVPR1BAVPR2TP53MAPT
SCHEMBL7020124 0.86 AVPR1A (0.40) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7021331 0.83 AVPR2 (0.41) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019750 0.83 MAPT (0.38) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7018668 0.83 AVPR1A (0.38) AVPR1AAVPR1BAVPR2MAPTLMNA
SCHEMBL7023564 0.83 AVPR1A (0.44) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7021889 0.82 AVPR1A (0.46) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7015520 0.82 PRMT5 (0.39) AVPR1APDE4APDE4BPDE4CPDE4D

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