SCHEMBL199266

SCHEMBL199266

CC(C)c1ncc(OC(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.36
CNR2 P34972 4/20 0.34
BTK Q06187 1/20 0.33
FAAH O00519 4/20 0.32
PTGES O14684 2/20 0.32
PTK2 Q05397 1/20 0.32
TRPV1 Q8NER1 3/20 0.31
BDKRB1 P46663 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL185483 0.92 OPRL1 (0.38) OPRL1CNR2BTKFAAHPTK2
SCHEMBL186275 0.91 BTK (0.38) OPRL1CNR2BTKFAAHPTK2
SCHEMBL185517 0.91 OPRL1 (0.37) OPRL1CNR2BTKFAAHPTGES
SCHEMBL186511 0.89 OPRL1 (0.39) OPRL1CNR2BTKFAAHPTK2
SCHEMBL2807467 0.89 OPRL1 (0.38) OPRL1CNR2PTK2BDKRB1
SCHEMBL185881 0.89 OPRL1 (0.37) OPRL1CNR2BTKFAAHTRPV1
SCHEMBL14856844 0.85 METAP2 (0.38) OPRL1CNR2
SCHEMBL14856577 0.85 FAAH (0.34) CNR2FAAHTRPV1BDKRB1
SCHEMBL185518 0.85 OPRL1 (0.37) OPRL1CNR2FAAHTRPV1
SCHEMBL14856521 0.85 OPRL1 (0.33) OPRL1CNR2BTKFAAHTRPV1

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