SCHEMBL185363

SCHEMBL185363

CN(C(=O)[C@]1(NC(=O)Oc2cncnc2)CCOC1)c1ccc(Nc2c(F)cccc2C(F)(F)F)cn1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.31
TRPV1 Q8NER1 2/20 0.31
MAP4K1 Q92918 1/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
JAK2 O60674 1/20 0.31
PTGS2 P35354 1/20 0.30
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30
LCK P06239 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) FAAHTRPV1MAP4K1JAK1JAK3
SCHEMBL2806523 0.91 BDKRB1 (0.33) MAP4K1JAK1JAK3JAK2PTGS2
SCHEMBL185136 0.87 OPRL1 (0.32) FAAHTRPV1
SCHEMBL185040 0.87 MAPK3 (0.34) FAAHTRPV1KDRTEK
SCHEMBL186646 0.84 L3MBTL1 (0.35) FAAHTRPV1LCK
SCHEMBL2809213 0.82 JAK1 (0.34) MAP4K1JAK1JAK3JAK2PTGS2
SCHEMBL185223 0.81 FAAH (0.35) FAAHTRPV1
Hydrochloric Acid SCHEMBL185917 0.80 FAAH (0.32) FAAHTRPV1PTGS2
SCHEMBL14856612 0.79 MAPK10 (0.33) FAAHTRPV1KDRTEK
SCHEMBL185613 0.79 SMO (0.33) FAAHTRPV1

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