SCHEMBL9545567

SCHEMBL9545567

CCCN1C(=O)[C@H](NC(=O)Nc2cccc(CNc3ncc[nH]3)c2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 14/20 0.63
BDKRB1 P46663 6/20 0.60

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
SCHEMBL9545561 0.92 CCKBR (0.75) CCKBR
SCHEMBL9545586 0.91 BDKRB1 (0.63) CCKBRBDKRB1
SCHEMBL7598733 0.83 BDKRB1 (0.63) CCKBRBDKRB1
SCHEMBL9008748 0.81 BDKRB1 (0.65) CCKBRBDKRB1
SCHEMBL7591486 0.80 BDKRB1 (0.79) CCKBRBDKRB1
SCHEMBL9545564 0.79 CCKBR (0.79) CCKBR
SCHEMBL9008742 0.79 BDKRB1 (0.75) CCKBRBDKRB1
SCHEMBL7598779 0.78 BDKRB1 (0.86) CCKBRBDKRB1
SCHEMBL9302413 0.78 CCKBR (0.82) CCKBRBDKRB1
SCHEMBL7586803 0.77 BDKRB1 (0.88) CCKBRBDKRB1

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