SCHEMBL7344136

SCHEMBL7344136

COc1cc(C(=O)N2CCCC(N(C)C)c3ccccc32)ccc1NC(=O)c1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.61
AVPR2 P30518 4/20 0.61
AVPR1B P47901 3/20 0.61
ABCB11 O95342 1/20 0.60
HTR1A P08908 1/20 0.60
CHRM1 P11229 1/20 0.60
OXTR P30559 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
SPTLC2 O15270 1/20 0.52
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GRM4 Q14833 1/20 0.49

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
SCHEMBL7349777 0.94 AVPR2 (0.58) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7344114 0.93 AVPR1A (0.58) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7346547 0.91 AVPR1A (0.73) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7352855 0.90 AVPR1A (0.58) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7380907 0.89 AVPR1A (0.65) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7355275 0.85 AVPR1A (0.61) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7350151 0.85 AVPR1A (0.65) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7344574 0.85 AVPR2 (0.81) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7345003 0.85 AVPR2 (0.60) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7355298 0.84 AVPR1A (0.63) AVPR1AAVPR2AVPR1BABCB11HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed