SCHEMBL187048

SCHEMBL187048

Cc1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.37
PTK2 Q05397 1/20 0.33
POLB P06746 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
BTK Q06187 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
P2RX7 Q99572 1/20 0.32
FAAH O00519 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BDKRB1 P46663 1/20 0.32

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
SCHEMBL186119 0.93 PTK2 (0.37) CNR2PTK2POLBTRPV1BTK
SCHEMBL186586 0.93 CNR2 (0.36) CNR2PTK2POLBTRPV1BTK
SCHEMBL185483 0.92 OPRL1 (0.38) CNR2PTK2TRPV1BTKP2RX7
SCHEMBL186053 0.91 CNR2 (0.34) CNR2POLBTRPV1FAAHTP53
SCHEMBL186076 0.90 CNR2 (0.37) CNR2TRPV1ANO1P2RX7FAAH
SCHEMBL14856574 0.90 CNR2 (0.35) CNR2TRPV1ANO1P2RX7FAAH
SCHEMBL185703 0.89 FAAH (0.37) CNR2PTK2POLBTRPV1BTK
SCHEMBL185729 0.89 CNR2 (0.35) CNR2POLBTRPV1ANO1P2RX7
SCHEMBL2809554 0.89 CNR2 (0.40) CNR2PTK2POLBANO1P2RX7
SCHEMBL14856813 0.86 CNR2 (0.33) CNR2TRPV1FAAHTP53RAB9A

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