SCHEMBL3725883

SCHEMBL3725883

Cc1ncc(OC(=O)NC2(C(=O)NC(C)c3ncc(Oc4ccccc4Cl)cc3F)CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 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
SCHEMBL3726665 0.93 BDKRB1 (0.48) BDKRB1
SCHEMBL13191417 0.90 BDKRB1 (0.49) BDKRB1
SCHEMBL13191658 0.85 CNR1 (0.52) BDKRB1
SCHEMBL13191588 0.82 BDKRB1 (0.53) BDKRB1
SCHEMBL13191250 0.82 BDKRB1 (0.48) BDKRB1
SCHEMBL3723411 0.81 BDKRB1 (0.44) BDKRB1
SCHEMBL13191707 0.79 BDKRB1 (0.51) BDKRB1
SCHEMBL13191592 0.79 BDKRB1 (0.51) BDKRB1
SCHEMBL3726047 0.78 BDKRB1 (0.42) BDKRB1
SCHEMBL2548440 0.74 CNR1 (0.60) BDKRB1

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-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed