SCHEMBL1456902

SCHEMBL1456902

O=C(Nc1ccccc1Oc1ccccc1)ON1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.42
TRPV1 Q8NER1 3/20 0.39
RBP4 P02753 1/20 0.39
MALT1 Q9UDY8 2/20 0.38
KCNH2 Q12809 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL1457525 0.91 RBP4 (0.49) TRPA1TRPV1RBP4MALT1KCNH2
SCHEMBL1457194 0.91 TRPA1 (0.44) TRPA1TRPV1RBP4MALT1KCNH2
SCHEMBL5119737 0.90 RBP4 (0.47) TRPA1TRPV1RBP4KCNH2TRPM8
SCHEMBL1457421 0.90 TRPA1 (0.45) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1456901 0.89 MALT1 (0.43) TRPA1TRPV1RBP4MALT1KCNH2
SCHEMBL1457150 0.88 TRPA1 (0.42) TRPA1TRPV1RBP4MALT1
SCHEMBL1457660 0.88 TRPA1 (0.42) TRPA1TRPV1RBP4MALT1KCNH2
SCHEMBL1457623 0.88 MALT1 (0.48) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1457791 0.87 TRPA1 (0.41) TRPA1TRPV1RBP4MALT1KCNH2
SCHEMBL1456795 0.87 TRPA1 (0.41) TRPA1TRPV1RBP4KCNH2TRPM8

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 6 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-1893620-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2008-03-05 EP claimed
WO-2006122769-A2 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS Grünenthal GmbH (DE) 2006-11-23 WO 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