SCHEMBL13680824

SCHEMBL13680824

O=CCCc1cccc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
SCN5A Q14524 4/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
ADORA3 P0DMS8 1/20 0.40
ABL1 P00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SCN9A Q15858 3/20 0.38
CYP1A2 P05177 1/20 0.38
ACP1 P24666 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL13680845 0.84 SCN9A (0.41) SUCNR1EPHB4TEKABL1ALDH1A1
SCHEMBL13680818 0.82 TRPV3 (0.52) ADORA3SCN9ATRPV3
SCHEMBL13680815 0.82 PDE10A (0.46) ADORA3KDM4ENPC1ALDH1A1MAPT
SCHEMBL23176310 0.79 SCN5A (0.48) SUCNR1EPHB4TEKSCN5ASCN10A
SCHEMBL4591287 0.79 SCN5A (0.48) SUCNR1EPHB4TEKSCN5ASCN10A
SCHEMBL4590801 0.79 SUCNR1 (0.48) SUCNR1EPHB4TEKSCN5ASCN10A
SCHEMBL13680840 0.79 RAB9A (0.41) NPC1ALDH1A1GAAMAPTRAB9A
SCHEMBL3854280 0.78 MEN1 (0.50) ALDH1A1RAB9ATRPV3
SCHEMBL13680838 0.78 SCN9A (0.42) NPC1MAPTRAB9ASCN9A
SCHEMBL13680823 0.77 TRPV3 (0.34) TRPV3

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