SCHEMBL1457196

SCHEMBL1457196

O=C(Nc1cccc(F)c1)ON1CCC2(CC1)CC(C(=O)N1CCN(c3ncccc3Cl)CC1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.43
TRPA1 O75762 5/20 0.43
TRPV1 Q8NER1 4/20 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
SCHEMBL1457658 0.92 MALT1 (0.51) MALT1TRPA1TRPV1
SCHEMBL1457359 0.92 TRPA1 (0.43) MALT1TRPA1TRPV1
SCHEMBL1457622 0.91 TRPA1 (0.43) MALT1TRPA1TRPV1
SCHEMBL1457342 0.91 TRPA1 (0.43) MALT1TRPA1TRPV1
SCHEMBL1457623 0.91 MALT1 (0.48) MALT1TRPA1TRPV1
SCHEMBL1457505 0.91 TRPA1 (0.53) MALT1TRPA1TRPV1
SCHEMBL1456790 0.90 TRPA1 (0.42) MALT1TRPA1TRPV1
SCHEMBL1457809 0.90 TRPA1 (0.46) MALT1TRPA1TRPV1
SCHEMBL5119744 0.89 TRPV1 (0.49) TRPA1TRPV1
SCHEMBL1457328 0.89 TRPA1 (0.41) MALT1TRPA1TRPV1

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