SCHEMBL7015520

SCHEMBL7015520

COc1cc(C(=O)N2CCOCc3ccccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
BRPF1 P55201 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
ROCK2 O75116 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NR1H2 P55055 1/20 0.36
POLB P06746 1/20 0.36
F10 P00742 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
SCHEMBL7014299 0.89 PDE4A (0.48) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7021331 0.88 AVPR2 (0.41) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7023856 0.88 AVPR1A (0.38) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7019122 0.86 MAPT (0.39) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7025753 0.84 AVPR2 (0.39) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7021889 0.84 AVPR1A (0.46) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7017223 0.83 BRD4 (0.42) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7020351 0.82 NR1H2 (0.38) AVPR2AVPR1AALDH1A1LMNAMAPT
SCHEMBL7019710 0.82 AVPR1A (0.41) AVPR2AVPR1APDE4APDE4BPDE4C
SCHEMBL7020966 0.82 ROCK2 (0.41) PRMT5AVPR2AVPR1APDE4APDE4B

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