SCHEMBL8919602

SCHEMBL8919602

CCc1cccc(NC(=O)NC2CC(C3CCCCC3)c3ccccc3N(CC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.82

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
SCHEMBL8919449 0.91 CCKBR (0.84) CCKBR
SCHEMBL8485755 0.90 CCKBR (1.00) CCKBR
SCHEMBL9542994 0.89 CCKBR (0.65) CCKBR
SCHEMBL8922725 0.87 CCKBR (0.78) CCKBR
SCHEMBL8921831 0.83 CCKBR (0.79) CCKBR
SCHEMBL8920681 0.83 CCKBR (0.80) CCKBR
SCHEMBL8398590 0.82 CCKBR (1.00) CCKBR
SCHEMBL8921669 0.82 CCKBR (0.88) CCKBR
SCHEMBL9541395 0.80 CCKBR (0.67) CCKBR
SCHEMBL8921040 0.79 CCKBR (0.81) CCKBR

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-5643904-A Substituted hexahdryoazepinones and tetrahydrobenzazepinones PFIZER INC. (US) 1997-07-01 US disclosed
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US disclosed