SCHEMBL9545600

SCHEMBL9545600

Cc1ccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)cc1Nc1nnn[nH]1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 20/20 0.77

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
SCHEMBL14425315 1.00 CCKBR (0.77) CCKBR
SCHEMBL9278492 0.90 CCKBR (0.76) CCKBR
SCHEMBL9271166 0.85 CCKBR (0.76) CCKBR
SCHEMBL9545573 0.84 CCKBR (0.78) CCKBR
SCHEMBL9545564 0.83 CCKBR (0.79) CCKBR
SCHEMBL14180467 0.82 CCKBR (0.77) CCKBR
SCHEMBL9303173 0.82 CCKBR (0.71) CCKBR
SCHEMBL9699970 0.81 CCKBR (0.71) CCKBR
SCHEMBL9581762 0.81 CCKBR (0.83) CCKBR
SCHEMBL14180461 0.81 CCKBR (0.83) 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 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