SCHEMBL8904274

SCHEMBL8904274

Cc1cccc(NC(=O)NC2CSc3ccccc3N(CC(=O)N3CCCC4(CCCC4)C3)C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.60
CCKAR P32238 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9435384 0.99 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8903101 0.94 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8904296 0.94 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8903106 0.94 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8904425 0.93 CCKBR (0.61) CCKBRCCKARALDH1A1MAPT
SCHEMBL8903356 0.92 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8904532 0.86 CCKBR (0.62) CCKBR
SCHEMBL8903311 0.85 CCKBR (0.51) CCKBR
SCHEMBL8903172 0.85 CCKBR (0.51) CCKBR
SCHEMBL9435338 0.85 CCKBR (0.58) CCKBRALDH1A1MAPT

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
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed