SCHEMBL1457191

SCHEMBL1457191

O=C(C1=NOC2(CCN(OC(=S)Nc3ccc(C(F)(F)F)cc3)CC2)C1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.50
TRPV1 Q8NER1 9/20 0.46
KCNH2 Q12809 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46

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
SCHEMBL1457648 0.94 TRPA1 (0.46) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1456980 0.93 TRPA1 (0.53) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457533 0.91 TRPA1 (0.46) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5121480 0.90 TRPA1 (0.51) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5120202 0.88 TRPV1 (0.59) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457262 0.88 TRPA1 (0.42) TRPA1TRPV1
SCHEMBL1457422 0.85 TRPV1 (0.58) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457645 0.85 TRPA1 (0.49) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457505 0.85 TRPA1 (0.53) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457359 0.84 TRPA1 (0.43) TRPA1TRPV1KCNH2TRPM8

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