SCHEMBL9526733

SCHEMBL9526733

O=C(NCC1N=C(c2ccccc2F)c2ccccc2NC1=O)C1=CC(=S)CC=C1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.60
CCKAR P32238 4/20 0.46

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
SCHEMBL9529576 0.85 CCKBR (0.64) CCKBRCCKAR
SCHEMBL9526475 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526470 0.75 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9866157 0.75 CCKBR (0.68) CCKBRCCKAR
SCHEMBL9526754 0.73 CCKBR (1.00) CCKBRCCKAR
SCHEMBL9526421 0.72 CCKBR (1.00) CCKBR
SCHEMBL9526426 0.72 CCKBR (1.00) CCKBR
SCHEMBL9525841 0.70 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9526253 0.69 CCKBR (0.63) CCKBRCCKAR
SCHEMBL9526239 0.69 CCKBR (0.63) 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