SCHEMBL5052836

SCHEMBL5052836

O=C(Nc1ccc(Oc2ccccc2)cc1)ON1C(C(=O)N2CCN(c3ncccc3Cl)CC2)=NOC12CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.43
TRPV1 Q8NER1 2/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL5050040 0.94 MALT1 (0.46) TRPA1TRPV1KCNH2TRPM8MALT1
SCHEMBL5054681 0.88 TRPV1 (0.58) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5051053 0.88 TRPA1 (0.51) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5054678 0.84 RBP4 (0.40) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5052859 0.83 TSHR (0.44) TRPA1TRPV1MALT1
SCHEMBL5050232 0.82 RBP4 (0.41) TRPA1TRPV1KCNH2TRPM8MALT1
SCHEMBL5054571 0.80 TRPA1 (0.40) TRPA1TRPV1KCNH2TRPM8
SCHEMBL5048772 0.79 P2RY12 (0.41) TRPA1TRPV1KCNH2TRPM8
SCHEMBL1457421 0.79 TRPA1 (0.45) TRPA1TRPV1KCNH2TRPM8MALT1
SCHEMBL5050214 0.78 RBP4 (0.47) TRPA1TRPV1KCNH2TRPM8MALT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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