SCHEMBL1457421

SCHEMBL1457421

O=C(Nc1ccc(Oc2ccccc2)cc1)ON1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.45
MALT1 Q9UDY8 1/20 0.43
TRPV1 Q8NER1 3/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL1457623 0.94 MALT1 (0.48) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1457275 0.92 MALT1 (0.44) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1457447 0.92 TRPA1 (0.45) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1457201 0.92 TRPA1 (0.50) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1457425 0.90 TRPV1 (0.45) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL5128367 0.90 TRPA1 (0.51) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457359 0.90 TRPA1 (0.43) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1457512 0.90 TRPA1 (0.43) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1456902 0.90 TRPA1 (0.42) TRPA1MALT1TRPV1KCNH2TRPM8
SCHEMBL1457208 0.90 TRPA1 (0.46) TRPA1MALT1TRPV1KCNH2TRPM8

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