SCHEMBL7019288

SCHEMBL7019288

COc1cc(C(=O)N2CCCC(O)c3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.51
AVPR1A P37288 14/20 0.51
OXTR P30559 2/20 0.44
AVPR1B P47901 2/20 0.41
ABCB11 O95342 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
GLP1R P43220 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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 0.85 PDE4A (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7017226 0.85 AVPR1A (0.45) AVPR2AVPR1AAVPR1B
SCHEMBL7020818 0.84 MAPT (0.43) AVPR2AVPR1AAVPR1B
SCHEMBL7015488 0.84 AVPR1A (0.50) AVPR2AVPR1AAVPR1B
SCHEMBL7016285 0.84 AVPR1A (0.44) AVPR2AVPR1AAVPR1B
SCHEMBL7020700 0.84 AVPR1A (0.40) AVPR2AVPR1AAVPR1B
SCHEMBL7017240 0.83 PDE4A (0.50) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7025547 0.83 AVPR1A (0.39) AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7018912 0.83 AVPR1A (0.44) AVPR2AVPR1AAVPR1B
SCHEMBL7024187 0.82 AVPR2 (0.44) AVPR2AVPR1AAVPR1B

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 2 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