SCHEMBL9008798

SCHEMBL9008798

CN1C(=O)[C@H](NC(=O)Nc2ccccc2CN2CCOCC2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.59
BDKRB1 P46663 4/20 0.52

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
SCHEMBL9008724 0.88 CCKBR (0.65) CCKBRBDKRB1
SCHEMBL14180453 0.87 CCKBR (0.68) CCKBRBDKRB1
SCHEMBL9008860 0.85 CCKBR (0.70) CCKBRBDKRB1
SCHEMBL9008675 0.85 CCKBR (0.70) CCKBRBDKRB1
SCHEMBL14180449 0.82 CCKBR (0.73) CCKBRBDKRB1
SCHEMBL14180468 0.81 CCKBR (0.69) CCKBR
SCHEMBL14180464 0.81 CCKBR (0.69) CCKBRBDKRB1
SCHEMBL14180454 0.81 CCKBR (0.69) CCKBR
SCHEMBL14180448 0.81 CCKBR (0.66) CCKBRBDKRB1
SCHEMBL14180441 0.80 CCKBR (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556969-A Benzodiazepine derivatives MERCK SHARP & DOHME LTD. (GB) 1996-09-17 US disclosed