SCHEMBL185729

SCHEMBL185729

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3F)CCOC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.35
TP53 P04637 3/20 0.33
PDE2A O00408 2/20 0.32
OPRL1 P41146 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
P2RX7 Q99572 1/20 0.31
FAAH O00519 2/20 0.30
TRPV1 Q8NER1 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL14856574 0.94 CNR2 (0.35) CNR2TP53ANO1P2RX7FAAH
SCHEMBL186076 0.94 CNR2 (0.37) CNR2TP53PDE2AANO1P2RX7
SCHEMBL185388 0.94 OPRL1 (0.36) CNR2OPRL1P2RX7FAAHTRPV1
SCHEMBL14856646 0.93 CNR2 (0.35) CNR2TP53PDE2AOPRL1ANO1
SCHEMBL186992 0.92 CNR2 (0.33) CNR2TP53P2RX7FAAHTRPV1
SCHEMBL2810858 0.90 CNR2 (0.38) CNR2TP53PDE2AOPRL1ANO1
SCHEMBL187048 0.89 CNR2 (0.37) CNR2TP53ANO1P2RX7FAAH
SCHEMBL185516 0.88 OPRL1 (0.36) CNR2OPRL1P2RX7FAAHTRPV1
SCHEMBL14856773 0.87 CNR2 (0.34) CNR2TP53P2RX7FAAHTRPV1
SCHEMBL14856809 0.87 OPRL1 (0.35) CNR2OPRL1FAAHTRPV1

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