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Sugi Predict / Compounds / SCHEMBL5054681

SCHEMBL5054681

SCHEMBL5054681

CC(C)(C)c1ccc(NC(=O)ON2C(C(=O)N3CCN(c4ncccc4Cl)CC3)=NOC23CCCCC3)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.58
▸ TRPA1 O75762 4/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ TRPM8 Q7Z2W7 1/20 0.58
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL5051053 0.93 TRPA1 (0.51) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5050040 0.91 MALT1 (0.46) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5052836 0.88 TRPA1 (0.43) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5054678 0.84 RBP4 (0.40) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL5050232 0.84 RBP4 (0.41) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL5054571 0.81 TRPA1 (0.40) TRPV1TRPA1KCNH2TRPM8CNR2
SCHEMBL5048772 0.81 P2RY12 (0.41) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5052859 0.80 TSHR (0.44) TRPV1TRPA1
SCHEMBL1457422 0.79 TRPV1 (0.58) TRPV1TRPA1KCNH2TRPM8
SCHEMBL5050214 0.78 RBP4 (0.47) TRPV1TRPA1KCNH2TRPM8

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