SCHEMBL9529576

SCHEMBL9529576

O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)C1=CC(=S)CC=C1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.64
CCKAR P32238 10/20 0.60

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
SCHEMBL9526733 0.85 CCKBR (0.60) CCKBRCCKAR
SCHEMBL9526643 0.79 CCKBR (1.00) CCKBRCCKAR
SCHEMBL7593098 0.79 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526777 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525050 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526767 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525040 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526104 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9525304 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526115 0.75 CCKBR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP claimed