SCHEMBL7592838

SCHEMBL7592838

CCCN1C(=O)C(N(C(N)=O)c2ccc(N3CCOCC3)cc2)N=C(C2CCCCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.55
CCKBR P32239 8/20 0.43
CCKAR P32238 2/20 0.37

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
SCHEMBL9008723 0.91 BDKRB1 (0.54) BDKRB1CCKBRCCKAR
SCHEMBL7597644 0.85 BDKRB1 (0.39) BDKRB1CCKBRCCKAR
SCHEMBL9008684 0.85 BDKRB1 (0.45) BDKRB1CCKBRCCKAR
SCHEMBL9008792 0.81 CCKBR (0.45) BDKRB1CCKBRCCKAR
SCHEMBL9008683 0.81 CCKBR (0.45) BDKRB1CCKBRCCKAR
SCHEMBL9008659 0.81 CCKBR (0.41) BDKRB1CCKBR
SCHEMBL9008669 0.81 BDKRB1 (0.40) BDKRB1CCKBRCCKAR
SCHEMBL7595345 0.79 BDKRB1 (0.84) BDKRB1CCKBR
SCHEMBL9008744 0.76 CCKBR (0.42) BDKRB1CCKBRCCKAR
SCHEMBL9545611 0.75 BDKRB1 (0.45) BDKRB1CCKBRCCKAR

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