SCHEMBL186076

SCHEMBL186076

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3C)CCOC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
LMNA P02545 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
PDE2A O00408 1/20 0.31
P2RX7 Q99572 1/20 0.31
FAAH O00519 3/20 0.31
TRPV1 Q8NER1 3/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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) CNR2LMNAANO1P2RX7FAAH
SCHEMBL185729 0.94 CNR2 (0.35) CNR2LMNAANO1PDE2AP2RX7
SCHEMBL185516 0.93 OPRL1 (0.36) CNR2P2RX7FAAHTRPV1DHODH
SCHEMBL14856684 0.93 CNR2 (0.37) CNR2LMNAP2RX7FAAHTRPV1
SCHEMBL186544 0.91 FAAH (0.34) LMNAFAAHTRPV1RAB9ASMN1; SMN2
SCHEMBL187048 0.90 CNR2 (0.37) CNR2ANO1P2RX7FAAHTRPV1
SCHEMBL2810028 0.89 CNR2 (0.40) CNR2LMNAANO1PDE2AP2RX7
SCHEMBL14856773 0.88 CNR2 (0.34) CNR2P2RX7FAAHTRPV1TP53
SCHEMBL185388 0.87 OPRL1 (0.36) CNR2P2RX7FAAHTRPV1
SCHEMBL14856646 0.87 CNR2 (0.35) CNR2LMNAANO1PDE2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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