SCHEMBL9698341

SCHEMBL9698341

COc1ccc(CC(C)(NC(=O)OC2CCC3CCCC2C3)C(=O)NC(CO)C(O)c2ccccc2)cc1.[CH2]

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.39
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.37

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
SCHEMBL9699612 0.93 TACR3 (0.38) CCKBRTACR1TACR3
SCHEMBL9698397 0.92 ITGB3 (0.39) CCKBRTACR1TACR3
SCHEMBL7670805 0.79 TACR1 (0.44) TACR1TACR3
SCHEMBL9698370 0.77 CCKBR (0.39) CCKBR
SCHEMBL9700976 0.74 CCKBR (0.39) CCKBR
SCHEMBL9699592 0.73 TACR3 (0.40) TACR1TACR3
SCHEMBL9698441 0.73 CCKBR (0.39) CCKBR
SCHEMBL9699591 0.70 CCKBR (0.43) CCKBR
SCHEMBL9698434 0.70 CCKBR (0.41) CCKBR
SCHEMBL9700720 0.70 CCKBR (0.44) 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
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed