SCHEMBL13680846

SCHEMBL13680846

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
TRPV3 Q8NET8 1/20 0.35
DHODH Q02127 1/20 0.34
JAK2 O60674 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
GSK3A P49840 1/20 0.34
RPS6KA3 P51812 1/20 0.34
LIMK1 P53667 1/20 0.34
MAP2K1 Q02750 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPK14 Q16539 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALK Q9UM73 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
GRM5 P41594 2/20 0.34
SCN9A Q15858 3/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33

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
SCHEMBL13680847 0.83 PDE10A (0.43) TRPV3GRM5SCN9ACYP2A6PDE10A
SCHEMBL13680850 0.82 TRPV3 (0.53) TRPV3SCN9A
SCHEMBL13680848 0.81 ADK (0.40) MAPTSCN9ASYK
SCHEMBL13680849 0.80 SCN9A (0.43) MAPTGRM5SCN9ACYP2A6
SCHEMBL13680845 0.79 SCN9A (0.41) TRPV3SCN9APDE10A
SCHEMBL31514156 0.79 MAPT (0.43) MAPTTRPV3DHODHJAK2RET
SCHEMBL3854280 0.79 MEN1 (0.50) TRPV3PDE10A
SCHEMBL13680834 0.78 PDE10A (0.39) MAPTTRPV3PDE10A
SCHEMBL13680818 0.77 TRPV3 (0.52) TRPV3SCN9APDE10A
SCHEMBL13680852 0.77 CYP2A6 (0.51) CYP2E1CYP2A6CYP2B6PDE10A

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