SCHEMBL9545573

SCHEMBL9545573

Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1N(C)c1nnn[nH]1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 19/20 0.78
BDKRB1 P46663 1/20 0.50

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
SCHEMBL9277141 0.89 CCKBR (0.77) CCKBR
SCHEMBL9274676 0.85 CCKBR (0.76) CCKBR
SCHEMBL9545600 0.84 CCKBR (0.77) CCKBR
SCHEMBL14425315 0.84 CCKBR (0.77) CCKBR
SCHEMBL14180467 0.81 CCKBR (0.77) CCKBR
SCHEMBL9303173 0.81 CCKBR (0.71) CCKBR
SCHEMBL9278492 0.81 CCKBR (0.76) CCKBR
SCHEMBL9699970 0.80 CCKBR (0.71) CCKBR
SCHEMBL14425311 0.80 CCKBR (1.00) CCKBR
SCHEMBL9301528 0.80 CCKBR (1.00) 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 claimed