SCHEMBL7021889

SCHEMBL7021889

COc1cc(C(=O)N2CCCSc3ccccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.46
AVPR2 P30518 4/20 0.46
AVPR1B P47901 2/20 0.39
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SHMT2 P34897 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NR1H2 P55055 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 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
SCHEMBL7014299 0.88 PDE4A (0.48) AVPR1AAVPR2AVPR1BPDE4APDE4B
SCHEMBL7023856 0.86 AVPR1A (0.38) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7019122 0.86 MAPT (0.39) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7019411 0.85 AVPR1A (0.55) AVPR1AAVPR2AVPR1BMAPT
SCHEMBL7021331 0.84 AVPR2 (0.41) AVPR1AAVPR2AVPR1BPDE4APDE4B
SCHEMBL7019750 0.84 MAPT (0.38) AVPR1AAVPR2AVPR1BMAPTTHRB
SCHEMBL7015520 0.84 PRMT5 (0.39) AVPR1AAVPR2MAPTPDE4APDE4B
SCHEMBL7020124 0.84 AVPR1A (0.40) AVPR1AAVPR2AVPR1BMAPTTHRB
SCHEMBL7017223 0.83 BRD4 (0.42) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7020351 0.82 NR1H2 (0.38) AVPR1AAVPR2AVPR1BMAPTPOLB

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