SCHEMBL1457565

SCHEMBL1457565

CCCCCNC(=O)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 0.41
CHRM4 P08173 1/20 0.38
KCNH2 Q12809 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
RBP4 P02753 1/20 0.37

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
SCHEMBL1457667 0.98 TRPA1 (0.42) TRPA1TRPV1CHRM4KCNH2TRPM8
SCHEMBL5111760 0.89 CHRM4 (0.47) TRPA1TRPV1CHRM4KCNH2TRPM8
SCHEMBL1456944 0.88 CHRM4 (0.45) TRPA1TRPV1CHRM4
SCHEMBL5125630 0.87 CHRM4 (0.48) TRPA1TRPV1CHRM4KCNH2TRPM8
SCHEMBL1457138 0.86 P2RY12 (0.41) TRPA1TRPV1CHRM4
SCHEMBL1457424 0.84 TRPA1 (0.43) TRPA1TRPV1RBP4
SCHEMBL1456795 0.84 TRPA1 (0.41) TRPA1TRPV1KCNH2TRPM8RBP4
SCHEMBL1457672 0.84 TRPA1 (0.39) TRPA1TRPV1KCNH2TRPM8RBP4
SCHEMBL1457623 0.83 MALT1 (0.48) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457194 0.83 TRPA1 (0.44) TRPA1TRPV1KCNH2TRPM8RBP4

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