SCHEMBL1457052

SCHEMBL1457052

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)ON1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.44
TRPV1 Q8NER1 5/20 0.44
MALT1 Q9UDY8 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
BRAF P15056 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
JAK1 P23458 1/20 0.40
CDK2 P24941 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
SCHEMBL1456980 0.91 TRPA1 (0.53) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457505 0.90 TRPA1 (0.53) TRPA1TRPV1MALT1ALDH1A1LMNA
SCHEMBL5119381 0.90 TRPV1 (0.51) TRPA1TRPV1NPSR1HSD17B10KCNH2
SCHEMBL1457626 0.88 TRPA1 (0.45) TRPA1TRPV1GAA
SCHEMBL1457359 0.88 TRPA1 (0.43) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1457201 0.88 TRPA1 (0.50) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1457499 0.88 TRPV1 (0.49) TRPA1TRPV1MALT1NPSR1
SCHEMBL1457208 0.88 TRPA1 (0.46) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1457196 0.88 MALT1 (0.43) TRPA1TRPV1MALT1
SCHEMBL1457658 0.88 MALT1 (0.51) TRPA1TRPV1MALT1

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
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP claimed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP claimed
EP-2292625-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-12-25 EP disclosed
EP-2292625-A1 Substituted spiro compounds and their use for producing pain-relief medicaments Grünenthal GmbH (DE) 2011-03-09 EP disclosed