SCHEMBL186188

SCHEMBL186188

O=C(N[C@@]1(C(=O)NCc2ncc(Nc3ccc(Cl)cc3C(F)(F)F)cc2Cl)CCOC1)Oc1cncnc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.35
TP53 P04637 1/20 0.32
P2RX7 Q99572 3/20 0.32
TRPV1 Q8NER1 3/20 0.31
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL186543 0.94 OPRL1 (0.34) CNR2P2RX7TRPV1FAAH
SCHEMBL186992 0.94 CNR2 (0.33) CNR2TP53P2RX7TRPV1FAAH
SCHEMBL14856574 0.92 CNR2 (0.35) CNR2TP53P2RX7TRPV1FAAH
SCHEMBL14856773 0.91 CNR2 (0.34) CNR2TP53P2RX7TRPV1FAAH
SCHEMBL2805120 0.91 CNR2 (0.38) CNR2TP53P2RX7CNR1KDM4E
SCHEMBL185940 0.89 CNR2 (0.34) CNR2TP53P2RX7TRPV1FAAH
SCHEMBL186053 0.89 CNR2 (0.34) CNR2TP53TRPV1FAAHCNR1
SCHEMBL186076 0.87 CNR2 (0.37) CNR2TP53P2RX7TRPV1FAAH
SCHEMBL185729 0.86 CNR2 (0.35) CNR2TP53P2RX7TRPV1FAAH
SCHEMBL186281 0.86 OPRL1 (0.36) CNR2P2RX7TRPV1FAAH

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