SCHEMBL8094577

SCHEMBL8094577

O=C(Oc1cccc(C(F)(F)F)c1)N1CCC(=NO)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.54
TRPV1 Q8NER1 2/20 0.54
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
EPHX1 P07099 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2288883 0.86 TRPA1 (0.57) TRPA1TRPV1PRSS1ACRLMNA
SCHEMBL27814536 0.83 TRPV1 (0.60) TRPA1TRPV1LMNAALDH1A1GAA
SCHEMBL10457573 0.79 GAA (0.64) TRPA1TRPV1GAAATM
SCHEMBL2294464 0.78 TRPV1 (0.44) TRPA1TRPV1LMNAALDH1A1GAA
SCHEMBL8104004 0.78 POLB (0.68) LMNAALDH1A1GAAPOLBHPGD
SCHEMBL8098770 0.75 LMNA (0.57) TRPV1LMNAALDH1A1GAAKDM4E
SCHEMBL12655782 0.75 ALDH1A1 (0.66) TRPA1TRPV1LMNAALDH1A1GAA
SCHEMBL4380655 0.75 TRPV1 (0.54) TRPA1TRPV1ALDH1A1
Hydrochloric Acid SCHEMBL4380652 0.74 HRH3 (0.54) TRPA1TRPV1ALDH1A1
SCHEMBL1242760 0.73 TRPV1 (0.53) TRPA1TRPV1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed