SCHEMBL8537368

SCHEMBL8537368

CC(=O)c1sccc1CN1C(=O)[C@@H](N)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.40
CCKAR P32238 3/20 0.40
BDKRB1 P46663 6/20 0.39
OXTR P30559 1/20 0.37

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
SCHEMBL8537363 1.00 CCKBR (0.40) CCKBRCCKARBDKRB1OXTR
SCHEMBL8532880 0.82 BDKRB1 (0.44) CCKBRCCKARBDKRB1OXTR
SCHEMBL8532877 0.82 BDKRB1 (0.44) CCKBRCCKARBDKRB1OXTR
SCHEMBL7547895 0.81 TP53 (0.35) CCKBROXTR
SCHEMBL7547899 0.81 TP53 (0.35) CCKBROXTR
SCHEMBL8535047 0.80 BDKRB1 (0.41) CCKBRCCKARBDKRB1OXTR
SCHEMBL8535054 0.80 BDKRB1 (0.41) CCKBRCCKARBDKRB1OXTR
SCHEMBL8537826 0.79 CCKBR (0.44) CCKBRCCKAR
SCHEMBL8537821 0.79 CCKBR (0.44) CCKBRCCKAR
SCHEMBL8538053 0.79 CCKBR (0.68) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed