SCHEMBL8795129

SCHEMBL8795129

C[C@@H](OC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.61
CCKAR P32238 11/20 0.61

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
SCHEMBL8795131 1.00 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8545072 1.00 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8546778 1.00 CCKBR (0.61) CCKBRCCKAR
SCHEMBL8796043 1.00 CCKBR (0.61) CCKBRCCKAR
SCHEMBL644305 0.86 CCKBR (0.69) CCKBRCCKAR
SCHEMBL644140 0.84 CCKBR (0.62) CCKBRCCKAR
SCHEMBL642831 0.83 CCKBR (0.65) CCKBRCCKAR
SCHEMBL643277 0.82 CCKBR (0.68) CCKBRCCKAR
SCHEMBL644153 0.82 CCKBR (0.74) CCKBRCCKAR
SCHEMBL5656206 0.82 CCKBR (0.74) CCKBRCCKAR

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
EP-0755394-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028399-A1 A METHOD OF INDUCING CHOLECYSTOKININ AGONIST ACTIVITY USING 1,4-BENZODIAZEPINE COMPOUNDS GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed