SCHEMBL9545576

SCHEMBL9545576

CN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3nccn3C(=O)OC(C)(C)C)c2)N=C(C2CCCCCC2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.67

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
SCHEMBL9287098 0.83 CCKBR (0.46) CCKBR
SCHEMBL9545561 0.82 CCKBR (0.75) CCKBR
SCHEMBL9545564 0.80 CCKBR (0.79) CCKBR
SCHEMBL9545589 0.80 CCKBR (0.59) CCKBR
SCHEMBL14180441 0.78 CCKBR (0.84) CCKBR
SCHEMBL14425311 0.77 CCKBR (1.00) CCKBR
SCHEMBL9301528 0.77 CCKBR (1.00) CCKBR
SCHEMBL9699941 0.77 CCKBR (0.69) CCKBR
SCHEMBL14180463 0.77 CCKBR (0.82) CCKBR
SCHEMBL14180451 0.77 CCKBR (0.82) 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-1993019052-A1 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY MERCK SHARP & DOHME LIMITED (GB) 1993-09-30 WO disclosed