SCHEMBL806653

SCHEMBL806653

CC1CCCN(C(=O)c2nc(Nc3ccc4c(c3)OCO4)sc2Cl)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 8/20 0.54
TRPC6 Q9Y210 8/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
GRM5 P41594 6/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IGF2BP1 Q9NZI8 1/20 0.44

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
SCHEMBL806654 0.84 TRPC3 (0.75) TRPC3TRPC6NPC1RAB9ANPSR1
SCHEMBL806599 0.73 TRPC3 (0.58) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL10087862 0.73 TRPC3 (0.60) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL806632 0.72 TRPC3 (0.63) TRPC3TRPC6GRM5TSHRMAPT
SCHEMBL23771822 0.70 TRPC3 (1.00) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL807014 0.69 TRPC3 (0.73) TRPC3TRPC6NPC1RAB9AALDH1A1
SCHEMBL26459144 0.69 TRPC3 (0.72) TRPC3TRPC6GRM5ALDH1A1TSHR
SCHEMBL790188 0.69 TRPC3 (0.72) TRPC3TRPC6GRM5ALDH1A1TSHR
SCHEMBL10087866 0.68 TRPC3 (0.48) TRPC3TRPC6NPC1RAB9AGRM5
SCHEMBL23771825 0.67 TRPC3 (1.00) TRPC3TRPC6NPC1RAB9A

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