SCHEMBL3724692

SCHEMBL3724692

CC(C)C1CCCN1c1nc(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.49
FPR2 P25090 4/20 0.49
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
CAMK1D Q8IU85 1/20 0.44
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
MDM2 Q00987 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP11B2 P19099 1/20 0.40

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
SCHEMBL3727036 0.87 SCN9A (0.51) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3727334 0.87 SCN9A (0.51) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3717819 0.87 SCN9A (0.51) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3728058 0.83 SCN9A (0.51) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3724694 0.82 MDM2 (0.40) SCN9AFPR2GAAHPGDHSD17B10
SCHEMBL1734132 0.79 KDM4E (0.72) SCN9AKDM4EALDH1A1GAAHPGD
SCHEMBL3718061 0.78 KDM4E (0.56) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3724662 0.77 KDM4E (0.73) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3718832 0.76 KDM4E (0.50) SCN9AFPR2KDM4EALDH1A1GAA
SCHEMBL3727384 0.76 KDM4E (0.50) SCN9AFPR2KDM4EALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed