SCHEMBL4685448

SCHEMBL4685448

COC(=O)CC1CCCN(C(=O)c2ccc(N)cc2C)c2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.57
AVPR1A P37288 3/20 0.50
ABCB11 O95342 1/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
OPRM1 P35372 1/20 0.50
GLP1R P43220 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL4686460 0.92 AVPR2 (0.48) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4685811 0.90 AVPR2 (0.45) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4682585 0.89 HDAC1 (0.42) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681175 0.86 AVPR2 (0.47) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL6600777 0.81 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL6957920 0.81 AVPR2 (0.43) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8827609 0.81 AVPR2 (0.38) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7345395 0.81 SPTLC2 (0.47) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4684422 0.80 AVPR2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4684773 0.80 AVPR2 (0.46) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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