SCHEMBL582634

SCHEMBL582634

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(OC(=O)C[S])c3cc(Cl)ccc32)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.74
AVPR1A P37288 6/20 0.74
ABCB11 O95342 2/20 0.74
HTR1A P08908 2/20 0.74
CHRM1 P11229 2/20 0.74
OPRM1 P35372 2/20 0.74
ADRB2 P07550 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
TBXA2R P21731 1/20 0.74
HTR2C P28335 1/20 0.74
HRH1 P35367 1/20 0.74
GLP1R P43220 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74
FFAR4 Q5NUL3 1/20 0.74
GPR119 Q8TDV5 1/20 0.74
OXTR P30559 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
AVPR1B P47901 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
SCHEMBL12744546 0.93 AVPR2 (0.75) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL582635 0.92 AVPR2 (0.74) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL583991 0.92 AVPR2 (0.73) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL15419822 0.90 AVPR2 (0.79) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8244263 0.90 AVPR2 (0.79) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL12744547 0.90 AVPR2 (0.79) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL583836 0.90 AVPR2 (0.71) AVPR2AVPR1AABCB11HTR1ACHRM1
Potassium Ion SCHEMBL583684 0.89 AVPR2 (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL583593 0.89 AVPR2 (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL583595 0.89 AVPR2 (0.70) AVPR2AVPR1AABCB11HTR1ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073868-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
EP-2374798-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
EP-2170831-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2012-02-15 EP disclosed
EP-2374797-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
EP-2374798-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP disclosed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 WO disclosed