SCHEMBL1457645

SCHEMBL1457645

O=C(Nc1cc(C(F)(F)F)ccc1Cl)ON1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.49
TRPV1 Q8NER1 6/20 0.49
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LYPLA1 O75608 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RBP4 P02753 1/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL1457533 0.93 TRPA1 (0.46) TRPA1TRPV1ALDH1A1MAPTTSHR
SCHEMBL1456980 0.91 TRPA1 (0.53) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457505 0.90 TRPA1 (0.53) TRPA1TRPV1ALDH1A1MAPTKCNH2
SCHEMBL5126475 0.90 TRPV1 (0.48) TRPA1TRPV1ALDH1A1MAPTTSHR
SCHEMBL1457194 0.89 TRPA1 (0.44) TRPA1TRPV1ALDH1A1KCNH2TRPM8
SCHEMBL1457626 0.88 TRPA1 (0.45) TRPA1TRPV1RBP4
SCHEMBL5119463 0.88 TRPA1 (0.47) TRPA1TRPV1ALDH1A1MAPTTSHR
SCHEMBL1457499 0.88 TRPV1 (0.49) TRPA1TRPV1RBP4MALT1
SCHEMBL1457052 0.87 TRPA1 (0.44) TRPA1TRPV1ALDH1A1MAPTKCNH2
SCHEMBL1457150 0.86 TRPA1 (0.42) TRPA1TRPV1RBP4MALT1

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