SCHEMBL3726047

SCHEMBL3726047

CC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ncc(Oc2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.42
CNR1 P21554 3/20 0.38

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
SCHEMBL3723411 0.91 BDKRB1 (0.44) BDKRB1CNR1
SCHEMBL13191418 0.91 CNR1 (0.47) BDKRB1CNR1
SCHEMBL3726665 0.85 BDKRB1 (0.48) BDKRB1CNR1
SCHEMBL3719959 0.83 TRPV1 (0.37) BDKRB1
SCHEMBL13191214 0.83 BDKRB1 (0.49) BDKRB1CNR1
SCHEMBL13191591 0.81 BDKRB1 (0.43) BDKRB1CNR1
SCHEMBL3722571 0.80 CACNA1I (0.36) BDKRB1CNR1
SCHEMBL3722282 0.79 CACNA1I (0.38) BDKRB1CNR1
SCHEMBL3729328 0.79 BDKRB1 (0.36) BDKRB1CNR1
SCHEMBL3722347 0.78 CACNA1I (0.36) 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