SCHEMBL28813012

SCHEMBL28813012

CN(CCO)Cc1ccc(NC(=O)O)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.41
▸ DGAT1 O75907 3/20 0.40
▸ CXCR1 P25024 2/20 0.40
▸ CXCR2 P25025 2/20 0.40
▸ PDCD1 Q15116 5/20 0.39
▸ CD274 Q9NZQ7 5/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC2A1 P11166 1/20 0.36
▸ P4HTM Q9NXG6 2/20 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
SCHEMBL14659222 0.83 ALDH1A1 (0.50) TRPV1
SCHEMBL27961398 0.80 TRPV1 (0.59) TRPV1DGAT1
SCHEMBL14665877 0.77 HSD17B10 (0.44) PDCD1CD274HSD17B10
SCHEMBL16246131 0.77 TRPV1 (0.39) TRPV1HSD17B10P4HTM
SCHEMBL1900631 0.77 PDE7A (0.41) TRPV1HSD17B10P4HTM
SCHEMBL22341854 0.75 P4HTM (0.44) TRPV1DGAT1PDCD1CD274P4HTM
SCHEMBL7655038 0.74 PDCD1 (0.44) PDCD1CD274HSD17B10
SCHEMBL14658982 0.73 HSD17B10 (0.43) PDCD1CD274HSD17B10
SCHEMBL7107855 0.73 HSD17B10 (0.47) PDCD1CD274HSD17B10
SCHEMBL25202900 0.72 TRPV1 (0.52) TRPV1DGAT1SLC2A1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842357-A Substituted heteroaromatic pyrazole-containing carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH 2014-06-04 — — CN disclosed
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