SCHEMBL204657

SCHEMBL204657

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3C(F)(F)F)cn2)CC1)Oc1ccno1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
P2RX7 Q99572 3/20 0.34
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPV1 Q8NER1 4/20 0.32
CNR1 P21554 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
BDKRB1 P46663 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL186182 0.88 CNR2 (0.38) CNR2P2RX7TRPV1KMT2ABDKRB1
SCHEMBL14857196 0.87 CNR2 (0.36) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL2805899 0.87 BDKRB1 (0.40) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL14856668 0.86 CNR2 (0.36) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL14856721 0.85 CNR2 (0.38) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL14856723 0.85 CNR2 (0.36) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL14857251 0.85 CNR2 (0.36) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL2809946 0.85 CNR2 (0.39) CNR2P2RX7RAB9ACYP1A2CYP2D6
SCHEMBL14856808 0.84 CNR2 (0.38) CNR2P2RX7TRPV1KMT2ABDKRB1
SCHEMBL14856623 0.84 CNR2 (0.37) CNR2P2RX7RAB9ACYP1A2CYP2D6

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-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed