SCHEMBL13680823

SCHEMBL13680823

O=CCCc1cccc(OC(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.34
IDH1 O75874 3/20 0.33
IDH2 P48735 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G5 P39877 1/20 0.31
CYP4A11 Q02928 2/20 0.30
CYP4F2 P78329 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
KCNH2 Q12809 1/20 0.30

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 0.80 SCN9A (0.41) TRPV3
SCHEMBL13680832 0.79 KDM1A (0.40) KCNH2
SCHEMBL13680824 0.77 SUCNR1 (0.44) TRPV3
SCHEMBL8648745 0.76 P2RX7 (0.41) IDH1IDH2HCRTR1HCRTR2KCNH2
SCHEMBL30583867 0.75 TRPV3 (0.38) TRPV3IDH1IDH2HCRTR1HCRTR2
SCHEMBL21849249 0.75 TRPV3 (0.38) TRPV3IDH1IDH2HCRTR1HCRTR2
SCHEMBL13680814 0.73 KCNH2 (0.35) KCNH2
SCHEMBL22493897 0.73 TRPV3 (0.38) TRPV3IDH1IDH2HCRTR1HCRTR2
SCHEMBL25236473 0.71 TERT (0.39) IDH1IDH2CHRM2CHRM1CHRM3
SCHEMBL1463893 0.69 PARP1 (0.36) HTR1ADRD2KCNH2

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