SCHEMBL9701137

SCHEMBL9701137

CCN1C(=O)[C@H](NC(=O)Nc2cccc(-c3nnn[nH]3)c2)N=C(C2CCCC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.57
BDKRB1 P46663 5/20 0.52
CCKAR P32238 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
SCHEMBL9301863 0.94 CCKBR (0.62) CCKBRBDKRB1
SCHEMBL9302443 0.92 CCKBR (0.55) CCKBRBDKRB1CCKAR
SCHEMBL9301212 0.91 CCKBR (0.56) CCKBRBDKRB1
SCHEMBL9699970 0.90 CCKBR (0.71) CCKBR
SCHEMBL9303173 0.89 CCKBR (0.71) CCKBR
SCHEMBL8547291 0.87 CCKBR (0.62) CCKBRCCKAR
SCHEMBL9003114 0.86 CCKBR (0.50) CCKBRCCKAR
SCHEMBL7544906 0.85 CYP3A4 (0.55) CCKBRCCKAR
SCHEMBL7544902 0.85 CYP3A4 (0.55) CCKBRCCKAR
SCHEMBL7547041 0.84 CCKBR (0.52) CCKBRCCKAR

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
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP claimed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed