SCHEMBL9698370

SCHEMBL9698370

CC(Cc1ccc2ccccc2c1)(NC(=O)OC1CCC2CCCC1C2)C(=O)NC(CO)Cc1ccccc1.[CH2]

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.39

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
SCHEMBL9700815 0.87 CCKBR (0.44) CCKBR
SCHEMBL9700976 0.87 CCKBR (0.39) CCKBR
SCHEMBL9698441 0.85 CCKBR (0.39) CCKBR
SCHEMBL9698434 0.83 CCKBR (0.41) CCKBR
SCHEMBL9699591 0.83 CCKBR (0.43) CCKBR
SCHEMBL9700720 0.82 CCKBR (0.44) CCKBR
SCHEMBL9699760 0.81 CCKBR (0.39) CCKBR
SCHEMBL9698341 0.77 CCKBR (0.39) CCKBR
SCHEMBL9698397 0.77 ITGB3 (0.39) CCKBR
SCHEMBL9699612 0.77 TACR3 (0.38) 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
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO claimed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed