SCHEMBL4684271

SCHEMBL4684271

COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(O)c2cc(Cl)ccc21

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.83
AVPR1A P37288 11/20 0.83
ABCB11 O95342 1/20 0.83
ADRB2 P07550 1/20 0.83
HTR1A P08908 1/20 0.83
ADORA3 P0DMS8 1/20 0.83
CHRM1 P11229 1/20 0.83
TBXA2R P21731 1/20 0.83
HTR2C P28335 1/20 0.83
HRH1 P35367 1/20 0.83
OPRM1 P35372 1/20 0.83
GLP1R P43220 1/20 0.83
TMEM97 Q5BJF2 1/20 0.83
FFAR4 Q5NUL3 1/20 0.83
GPR119 Q8TDV5 1/20 0.83

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
SCHEMBL7385985 0.91 AVPR2 (0.68) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL29720852 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL31206968 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL29776655 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7351437 0.91 AVPR2 (0.72) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8246087 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL242421 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL1650272 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL20769792 0.91 AVPR2 (1.00) AVPR2AVPR1AABCB11ADRB2HTR1A
Tolvaptan SCHEMBL29389767 0.91 AVPR2 (1.00) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US claimed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP claimed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO claimed
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed