SCHEMBL806654

SCHEMBL806654

CC1CCCN(C(=O)c2nc(Nc3ccc4c(c3)OCO4)sc2Cl)C1C

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 13/20 0.75
▸ TRPC6 Q9Y210 13/20 0.75
▸ TRPA1 O75762 2/20 0.52
▸ CACNA1C Q13936 2/20 0.52
▸ SCN5A Q14524 2/20 0.52
▸ TRPV1 Q8NER1 2/20 0.52
▸ TRPV4 Q9HBA0 2/20 0.52
▸ SCD5 Q86SK9 2/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL10087861 0.86 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806653 0.84 TRPC3 (0.54) TRPC3TRPC6NPC1RAB9ANPSR1
SCHEMBL23771825 0.82 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806708 0.79 TRPC3 (0.68) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL26458712 0.77 TRPC3 (0.80) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806600 0.76 TRPC3 (1.00) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL807011 0.72 TRPC3 (0.58) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL798400 0.71 TRPC3 (0.65) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL806710 0.71 TRPC3 (0.65) TRPC3TRPC6TRPA1CACNA1CSCN5A
SCHEMBL790364 0.70 TRPC3 (0.77) TRPC3TRPC6TRPA1CACNA1CSCN5A

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
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 — — WO disclosed
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