SCHEMBL7967402

SCHEMBL7967402

CCN1C(=O)C(NC(=O)[C@H](N)Cc2ccccc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.79
KCNH2 Q12809 1/20 0.79
SCN9A Q15858 4/20 0.57
CCKAR P32238 2/20 0.57
SENP1 Q9P0U3 1/20 0.55
OXTR P30559 4/20 0.53
NOTCH1 P46531 1/20 0.53
RBPJ Q06330 1/20 0.53

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
SCHEMBL8761230 0.93 CCKBR (0.79) CCKBRKCNH2SCN9ACCKARSENP1
SCHEMBL9525360 0.88 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL9525366 0.88 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL9526276 0.88 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL9526270 0.88 CCKBR (1.00) CCKBRKCNH2SCN9ACCKARNOTCH1
SCHEMBL8746541 0.88 CCKBR (0.75) CCKBRKCNH2SCN9ACCKARSENP1
SCHEMBL10435092 0.88 CCKBR (0.75) CCKBRKCNH2SCN9ACCKARSENP1
SCHEMBL8746530 0.88 CCKBR (0.75) CCKBRKCNH2SCN9ACCKARSENP1
SCHEMBL8420210 0.88 KCNH2 (0.72) CCKBRKCNH2SCN9ACCKARSENP1
SCHEMBL8422703 0.88 KCNH2 (0.72) CCKBRKCNH2SCN9ACCKARSENP1

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-6214823-B1 CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2001-04-10 US disclosed