SCHEMBL2300549

SCHEMBL2300549

O=C(ON1CCc2c(cccc2OCC(F)(F)F)C1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 4/20 0.47
SCN9A Q15858 1/20 0.44
SSTR4 P31391 2/20 0.40
S1PR5 Q9H228 6/20 0.40
ACACB O00763 1/20 0.36
ACKR3 P25106 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
AR P10275 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SSTR1 P30872 1/20 0.35
CARM1 Q86X55 1/20 0.35

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
SCHEMBL2354750 0.80 ABHD6 (0.54) ABHD6SCN9ASSTR4S1PR5ACKR3
SCHEMBL7743587 0.79 ABHD6 (0.55) ABHD6S1PR5ACACBCARM1
SCHEMBL2355835 0.77 ABHD6 (0.55) ABHD6SCN9AACACB
SCHEMBL7737943 0.71 CARM1 (0.39) ABHD6S1PR5ARCARM1
SCHEMBL15335809 0.70 RXRA (0.49) SSTR4ADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL2355342 0.69 P2RY1 (0.43) SCN9ASSTR4S1PR5HRH3
SCHEMBL7744238 0.69 NR1H3 (0.36) ABHD6S1PR5
SCHEMBL7744239 0.69 NR1H3 (0.36) ABHD6S1PR5
SCHEMBL14961675 0.65 CD44 (0.47) HRH3
SCHEMBL2301748 0.65 SCN9A (0.36) ABHD6SCN9ASSTR4S1PR5ADRA2A

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
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed