SCHEMBL755280

SCHEMBL755280

COc1ccc(Oc2ccc(CNC(=O)C3(NC(=O)Oc4cncnc4)CC3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.43
CNR1 P21554 1/20 0.41
FAAH O00519 3/20 0.39
TRPV1 Q8NER1 3/20 0.39
CHRM4 P08173 2/20 0.37
KCNK3 O14649 1/20 0.35
KCNK5 O95279 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNK17 Q96T54 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
F10 P00742 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL765633 0.90 BDKRB1 (0.49) BDKRB1CNR1CHRM4KCNK3KCNK5
SCHEMBL754425 0.85 PPARD (0.44) BDKRB1FAAHTRPV1CHRM4
SCHEMBL756518 0.84 BDKRB1 (0.39) BDKRB1CNR1FAAHTRPV1P2RX7
SCHEMBL14856425 0.79 BDKRB1 (0.48) BDKRB1FAAHTRPV1
SCHEMBL185085 0.77 BDKRB1 (0.47) BDKRB1FAAHTRPV1F10
SCHEMBL765812 0.76 BDKRB1 (0.63) BDKRB1F10
SCHEMBL12239079 0.76 BDKRB1 (0.44) BDKRB1CNR1
SCHEMBL756449 0.75 BDKRB1 (0.46) BDKRB1FAAH
SCHEMBL754249 0.75 BDKRB1 (0.52) BDKRB1CNR1FAAHTRPV1
SCHEMBL3727496 0.75 FAAH (0.39) BDKRB1FAAHTRPV1

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