SCHEMBL9399428

SCHEMBL9399428

CC(Cc1ccc[n+]([O-])c1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.49

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
SCHEMBL9399750 0.91 CCKBR (0.46) CCKBR
SCHEMBL9400094 0.88 CCKBR (0.47) CCKBR
SCHEMBL9400018 0.87 CCKBR (0.64) CCKBR
SCHEMBL9400027 0.81 CCKBR (0.48) CCKBR
SCHEMBL9400024 0.78 CCKBR (0.44) CCKBR
SCHEMBL9699648 0.78 ITGB3 (0.52) CCKBR
SCHEMBL9699647 0.78 ITGB3 (0.52) CCKBR
SCHEMBL9400117 0.78 CCKBR (0.66) CCKBR
SCHEMBL9700947 0.75 CCKBR (0.52) CCKBR
SCHEMBL9399603 0.74 CCKBR (0.47) 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-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed