SCHEMBL8903101

SCHEMBL8903101

Cc1cccc(NC(=O)N[C@H]2CSc3ccccc3N(CC(=O)N3CCCC(C)(C)C3)C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.60
CCKAR P32238 1/20 0.45

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
SCHEMBL8904296 1.00 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8903106 1.00 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8904274 0.94 CCKBR (0.60) CCKBRCCKAR
SCHEMBL9435384 0.93 CCKBR (0.60) CCKBRCCKAR
SCHEMBL8903311 0.92 CCKBR (0.51) CCKBR
SCHEMBL8903172 0.92 CCKBR (0.51) CCKBR
SCHEMBL8905718 0.90 CCKBR (0.62) CCKBR
SCHEMBL8903048 0.90 CCKBR (0.62) CCKBR
SCHEMBL8903044 0.90 CCKBR (0.62) CCKBR
SCHEMBL8904425 0.88 CCKBR (0.61) 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 2 patents. 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
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 WO disclosed