SCHEMBL8975347

SCHEMBL8975347

COc1cccc(C2CC(NC(=O)Nc3cccc(C)c3)C(=O)N(CC(=O)NC(C)(C)C)C(c3ccccc3)C2)c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.86

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
SCHEMBL8921116 0.93 CCKBR (0.80) CCKBR
SCHEMBL8921507 0.92 CCKBR (1.00) CCKBR
SCHEMBL8922446 0.89 CCKBR (0.83) CCKBR
SCHEMBL8922870 0.88 CCKBR (1.00) CCKBR
SCHEMBL8975696 0.85 CCKBR (0.82) CCKBR
SCHEMBL8975640 0.84 CCKBR (0.84) CCKBR
SCHEMBL8920528 0.84 CCKBR (0.84) CCKBR
SCHEMBL8919278 0.83 CCKBR (0.82) CCKBR
SCHEMBL8921792 0.83 CCKBR (0.82) CCKBR
SCHEMBL8919324 0.82 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 1 patent. 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 disclosed