SCHEMBL1456887

SCHEMBL1456887

O=C(C1=NOC2(CCN(OC(=S)NC3CCCC3)CC2)C1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.41
TRPV1 Q8NER1 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
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
SCHEMBL5115830 0.90 KDM4E (0.46) TRPA1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1457178 0.88 P2RX7 (0.40) TRPA1TRPV1MALT1
SCHEMBL5052731 0.87 TRPA1 (0.46) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1456956 0.83 RBP4 (0.47) TRPA1TRPV1MEN1KMT2AMALT1
SCHEMBL1457191 0.83 TRPA1 (0.50) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457200 0.82 TRPA1 (0.46) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457648 0.82 TRPA1 (0.46) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1457262 0.82 TRPA1 (0.42) TRPA1TRPV1KMT2A
SCHEMBL1457623 0.82 MALT1 (0.48) TRPA1TRPV1MALT1KCNH2TRPM8
SCHEMBL1457194 0.82 TRPA1 (0.44) TRPA1TRPV1MALT1KCNH2TRPM8

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