SCHEMBL13680845

SCHEMBL13680845

O=CCCc1cccc(-c2ccc(OC(F)(F)F)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.41
TRPV3 Q8NET8 2/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
ABL1 P00519 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL13680849 0.84 SCN9A (0.43) SCN9A
SCHEMBL13680824 0.84 SUCNR1 (0.44) SCN9ATRPV3CYP1A2ALDH1A1SUCNR1
SCHEMBL13680850 0.81 TRPV3 (0.53) SCN9ATRPV3
SCHEMBL13680823 0.80 TRPV3 (0.34) TRPV3
SCHEMBL13680846 0.79 MAPT (0.40) SCN9ATRPV3PDE10A
SCHEMBL13680956 0.79 SHMT2 (0.40) ALDH1A1POLBL3MBTL1
SCHEMBL13680798 0.78 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL13680847 0.77 PDE10A (0.43) SCN9ATRPV3IRAK4PDE10A
SCHEMBL13680818 0.77 TRPV3 (0.52) SCN9ATRPV3PDE10A
SCHEMBL13680477 0.75 CYP2A6 (0.46) SCN9ACYP1A2CYP3A4CYP2C9CYP2C19

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed