SCHEMBL7348782

SCHEMBL7348782

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3cc(Cl)ccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.80
AVPR2 P30518 6/20 0.80
ABCB11 O95342 2/20 0.80
HTR1A P08908 2/20 0.80
CHRM1 P11229 2/20 0.80
OPRM1 P35372 2/20 0.80
AVPR1B P47901 2/20 0.80
OXTR P30559 1/20 0.80
SLC6A4 P31645 1/20 0.80
ADRA1A P35348 1/20 0.80
ADRB2 P07550 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
TBXA2R P21731 1/20 0.68
HTR2C P28335 1/20 0.68
HRH1 P35367 1/20 0.68
GLP1R P43220 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
FFAR4 Q5NUL3 1/20 0.68
GPR119 Q8TDV5 1/20 0.68

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
SCHEMBL7359052 0.92 AVPR2 (0.80) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7344679 0.92 AVPR1A (0.68) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7355318 0.90 AVPR2 (0.71) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7352677 0.90 AVPR1A (0.80) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL29388889 0.89 AVPR1A (1.00) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL1649322 0.89 AVPR1A (1.00) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL15084884 0.89 AVPR1A (1.00) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7353531 0.89 AVPR1A (0.64) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL5485609 0.89 AVPR2 (0.85) AVPR1AAVPR2ABCB11HTR1ACHRM1
Mozavaptan SCHEMBL29872549 0.88 AVPR1A (0.98) AVPR1AAVPR2ABCB11HTR1ACHRM1

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