SCHEMBL7594182

SCHEMBL7594182

CCCN1C(=O)C(NC(=O)Nc2nnc(C)s2)N=C(N2CCN(C)CC2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 17/20 0.70
BDKRB1 P46663 3/20 0.49

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
SCHEMBL9368456 0.82 CCKBR (1.00) CCKBR
SCHEMBL9368848 0.82 CCKBR (1.00) CCKBR
SCHEMBL9368857 0.81 CCKBR (0.84) CCKBR
SCHEMBL9368897 0.81 CCKBR (0.84) CCKBR
SCHEMBL9369254 0.81 CCKBR (0.73) CCKBRBDKRB1
SCHEMBL9368896 0.80 CCKBR (1.00) CCKBRBDKRB1
SCHEMBL9369834 0.80 CCKBR (1.00) CCKBRBDKRB1
SCHEMBL9125456 0.79 CCKBR (0.77) CCKBRBDKRB1
SCHEMBL8590892 0.79 CCKBR (0.77) CCKBRBDKRB1
SCHEMBL9368479 0.79 CCKBR (0.81) 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-2002099388-A2 BENZODIAZEPINE BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2002-12-12 WO disclosed