SCHEMBL757026

SCHEMBL757026

CC(NC(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.45
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
CNR1 P21554 4/20 0.40
FPR2 P25090 2/20 0.38
SCN9A Q15858 2/20 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
SCHEMBL765535 0.91 BDKRB1 (0.57) BDKRB1PTGER4PTGER2CNR1FPR2
SCHEMBL754249 0.82 BDKRB1 (0.52) BDKRB1CNR1
SCHEMBL10121364 0.81 BDKRB1 (0.58) BDKRB1PTGER4PTGER2CNR1
SCHEMBL756132 0.79 BDKRB1 (0.39) BDKRB1PTGER4CNR1
SCHEMBL3726665 0.77 BDKRB1 (0.48) BDKRB1CNR1
SCHEMBL14856694 0.76 BDKRB1 (0.48) BDKRB1CNR1
SCHEMBL754425 0.75 PPARD (0.44) BDKRB1
SCHEMBL10121536 0.74 BDKRB1 (0.60) BDKRB1PTGER4CNR1
SCHEMBL3722571 0.74 CACNA1I (0.36) BDKRB1CNR1
SCHEMBL765524 0.74 BDKRB1 (0.51) BDKRB1PTGER4PTGER2CNR1SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed