SCHEMBL7014179

SCHEMBL7014179

COc1cc(C(=O)N2CCCCc3ccncc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.39
AVPR1B P47901 1/20 0.39
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 4/20 0.37
NR3C1 P04150 3/20 0.36
ALDH1A1 P00352 1/20 0.36
OXTR P30559 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL7019710 0.95 AVPR1A (0.41) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7014299 0.92 PDE4A (0.48) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7020124 0.86 AVPR1A (0.40) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019411 0.86 AVPR1A (0.55) AVPR1AAVPR1BAVPR2TP53
SCHEMBL7019750 0.83 MAPT (0.38) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7018668 0.83 AVPR1A (0.38) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL7016824 0.83 AVPR1A (0.42) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019122 0.82 MAPT (0.39) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7021889 0.82 AVPR1A (0.46) AVPR1AAVPR1BPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7017309 0.82 AVPR1A (0.42) AVPR1AAVPR1BPDE4APDE4BPDE4C

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