SCHEMBL3703391

SCHEMBL3703391

CCN(CC)C(=O)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRM5 P41594 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 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
SCHEMBL977761 0.90 F10 (0.47) F10NPC1RAB9AGRM5HDAC3
SCHEMBL977856 0.86 GRM5 (0.54) F10NPC1RAB9AGRM5HDAC3
SCHEMBL975563 0.85 F10 (0.48) F10NPC1RAB9AGRM5HDAC3
SCHEMBL13822836 0.85 F10 (0.47) F10NPC1RAB9AGRM5HDAC3
SCHEMBL977590 0.85 PIK3CG (0.42) F10NPC1RAB9AGRM5HDAC3
SCHEMBL977868 0.85 F10 (0.44) F10NPC1RAB9A
SCHEMBL976205 0.84 F10 (0.45) F10NPC1RAB9AGRM5HDAC3
SCHEMBL978228 0.84 F10 (0.47) F10NPC1RAB9AGRM5HDAC3
SCHEMBL977923 0.83 F10 (0.49) F10NPC1RAB9AGRM5
SCHEMBL977218 0.83 F10 (0.42) F10HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed