SCHEMBL7015488

SCHEMBL7015488

COc1cc(C(=O)N2CCCSc3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.50
AVPR2 P30518 5/20 0.50
AVPR1B P47901 2/20 0.42
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SHMT2 P34897 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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 0.86 PDE4A (0.53) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7020700 0.86 AVPR1A (0.40) AVPR1AAVPR2AVPR1BPDE4APDE4B
SCHEMBL7017226 0.85 AVPR1A (0.45) AVPR1AAVPR2AVPR1BPDE4APDE4B
SCHEMBL7016054 0.85 PDE4A (0.41) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7020818 0.85 MAPT (0.43) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7016285 0.84 AVPR1A (0.44) AVPR1AAVPR2AVPR1BPDE4APDE4B
SCHEMBL7019288 0.84 AVPR2 (0.51) AVPR1AAVPR2AVPR1B
SCHEMBL7025547 0.84 AVPR1A (0.39) AVPR1AAVPR2AVPR1BMAPTPDE4A
SCHEMBL7017240 0.84 PDE4A (0.50) AVPR1AAVPR2AVPR1BPDE4APDE4B
Hydrochloric Acid SCHEMBL7018912 0.84 AVPR1A (0.44) AVPR1AAVPR2AVPR1BPDE4APDE4B

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