SCHEMBL186646

SCHEMBL186646

Cc1cccc(C(F)(F)F)c1Nc1ccc(N(C)C(=O)C2(NC(=O)Oc3cncnc3)CC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
LCK P06239 1/20 0.33
FAAH O00519 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
LIPE Q05469 1/20 0.31
GPBAR1 Q8TDU6 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
MAPT P10636 1/20 0.31
BRAF P15056 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
SCHEMBL186120 0.92 JAK1 (0.34) LCKFAAHTRPV1LIPE
SCHEMBL2811232 0.90 BRAF (0.36) L3MBTL1LCKGPBAR1MAPTBRAF
SCHEMBL185223 0.88 FAAH (0.35) FAAHTRPV1LIPE
SCHEMBL185363 0.84 FAAH (0.31) LCKFAAHTRPV1
SCHEMBL185331 0.84 DHODH (0.35) FAAHTRPV1LIPEGPBAR1HTR2A
SCHEMBL185613 0.83 SMO (0.33) FAAHTRPV1LIPEGPBAR1
SCHEMBL14856612 0.83 MAPK10 (0.33) FAAHTRPV1LIPEGPBAR1BRAF
SCHEMBL186205 0.82 LIPE (0.36) FAAHTRPV1LIPEBRAF
SCHEMBL2809213 0.82 JAK1 (0.34) LCKBRAF
SCHEMBL186651 0.82 CNR2 (0.39) TRPV1LIPEHTR2AHTR2C

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