SCHEMBL8921040

SCHEMBL8921040

CC(C)(C)NC(=O)CN1C(=O)C(NC(=O)Nc2cccc(CS)c2)CC(c2ccccc2)c2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.81

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
SCHEMBL8920232 0.90 CCKBR (0.85) CCKBR
SCHEMBL8920346 0.90 CCKBR (0.85) CCKBR
SCHEMBL8920529 0.90 CCKBR (1.00) CCKBR
SCHEMBL8485760 0.89 CCKBR (1.00) CCKBR
SCHEMBL8919313 0.89 CCKBR (0.84) CCKBR
SCHEMBL9361975 0.88 CCKBR (0.81) CCKBR
SCHEMBL9541645 0.88 CCKBR (0.62) CCKBR
SCHEMBL8921831 0.88 CCKBR (0.79) CCKBR
SCHEMBL8920896 0.88 CCKBR (0.81) CCKBR
SCHEMBL8919293 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484917-A FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY PFIZER INC. (US) 1996-01-16 US claimed
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