SCHEMBL9545586

SCHEMBL9545586

CCCN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3ncc[nH]3)c2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.63
CCKBR P32239 14/20 0.63

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
SCHEMBL9545567 0.91 CCKBR (0.63) BDKRB1CCKBR
SCHEMBL7591486 0.82 BDKRB1 (0.79) BDKRB1CCKBR
SCHEMBL9545561 0.82 CCKBR (0.75) CCKBR
SCHEMBL9008742 0.81 BDKRB1 (0.75) BDKRB1CCKBR
SCHEMBL9545611 0.81 BDKRB1 (0.45) BDKRB1CCKBR
SCHEMBL7598779 0.81 BDKRB1 (0.86) BDKRB1CCKBR
SCHEMBL7598733 0.81 BDKRB1 (0.63) BDKRB1CCKBR
SCHEMBL9302413 0.80 CCKBR (0.82) BDKRB1CCKBR
SCHEMBL7586803 0.80 BDKRB1 (0.88) BDKRB1CCKBR
SCHEMBL9301863 0.80 CCKBR (0.62) BDKRB1CCKBR

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-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 claimed
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