SCHEMBL13680850

SCHEMBL13680850

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

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 9/20 0.53
SCN9A Q15858 1/20 0.41
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13680846 0.82 MAPT (0.40) TRPV3SCN9A
SCHEMBL13680818 0.82 TRPV3 (0.52) TRPV3SCN9A
SCHEMBL13680845 0.81 SCN9A (0.41) TRPV3SCN9A
SCHEMBL27362246 0.81 TRPV3 (0.63) TRPV3SCN9A
SCHEMBL13680847 0.80 PDE10A (0.43) TRPV3SCN9AKCNH2
SCHEMBL8648745 0.78 P2RX7 (0.41) KCNH2
SCHEMBL13680848 0.77 ADK (0.40) SCN9AKCNH2
SCHEMBL13680952 0.77 CPT1A (0.41)
SCHEMBL13680849 0.76 SCN9A (0.43) SCN9A
SCHEMBL13680824 0.76 SUCNR1 (0.44) TRPV3SCN9A

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