SCHEMBL476129

SCHEMBL476129

CCCn1nc(C(C)(C)C)cc1NC(=O)C(F)(F)F.O=C(OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
MAPK14 Q16539 13/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 3/20 0.40
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL284059 0.93 MAPK14 (0.45) BRAFMAPK14CNR2CNR1MAPT
SCHEMBL476143 0.85 CNR2 (0.51) BRAFMAPK14CNR2CNR1MAPT
SCHEMBL283286 0.84 CNR1 (0.56) MAPK14CNR2CNR1
SCHEMBL283743 0.80 CNR2 (0.43) MAPK14CNR2CNR1MAPTLMNA
SCHEMBL5201677 0.79 MAPK14 (0.43) BRAFMAPK14CNR2MAPTLMNA
SCHEMBL4139014 0.77 CNR2 (0.56) MAPK14CNR2MAPTLMNAMAPK13
SCHEMBL283058 0.75 MAPK14 (0.53) MAPK14CNR2CNR1MAPK13
SCHEMBL283651 0.73 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL283980 0.73 MAPK14 (0.49) MAPK14MAPK13
SCHEMBL16279349 0.73 MAPK14 (0.43) BRAFMAPK14CNR2CNR1HPGD

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-2411370-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-04-22 EP disclosed
EP-2411370-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111573-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed