SCHEMBL3726665

SCHEMBL3726665

CC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ncc(Oc2ccccc2Cl)cc1F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.48
CNR1 P21554 3/20 0.42

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
SCHEMBL3725883 0.93 BDKRB1 (0.49) BDKRB1
SCHEMBL13191658 0.91 CNR1 (0.52) BDKRB1CNR1
SCHEMBL3723411 0.89 BDKRB1 (0.44) BDKRB1CNR1
SCHEMBL3726047 0.85 BDKRB1 (0.42) BDKRB1CNR1
SCHEMBL13191417 0.83 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL13191250 0.81 BDKRB1 (0.48) BDKRB1CNR1
SCHEMBL13191588 0.81 BDKRB1 (0.53) BDKRB1CNR1
SCHEMBL2548440 0.80 CNR1 (0.60) BDKRB1CNR1
SCHEMBL13191214 0.80 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL756518 0.78 BDKRB1 (0.39) BDKRB1CNR1

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