SCHEMBL4695541

SCHEMBL4695541

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1CCCC(CC(=O)N(C)C)c2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.53
AVPR1A P37288 3/20 0.53
ABCB11 O95342 1/20 0.53
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
TBXA2R P21731 1/20 0.53
HTR2C P28335 1/20 0.53
HRH1 P35367 1/20 0.53
OPRM1 P35372 1/20 0.53
GLP1R P43220 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
GPR119 Q8TDV5 1/20 0.53
GRM4 Q14833 2/20 0.44
AVPR1B P47901 1/20 0.44
SPTLC2 O15270 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4743938 0.92 AVPR2 (0.50) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681402 0.92 AVPR2 (0.55) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7334873 0.91 AVPR2 (0.54) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681958 0.91 AVPR2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL4682235 0.90 AVPR2 (0.49) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4684264 0.89 AVPR2 (0.54) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4685521 0.89 AVPR2 (0.50) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4682223 0.89 AVPR2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL7334792 0.88 AVPR2 (0.49) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4686328 0.88 AVPR2 (0.48) AVPR2AVPR1AABCB11ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US claimed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP claimed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP claimed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US claimed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP claimed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed