SCHEMBL3790701

SCHEMBL3790701

N#Cc1ccc(Oc2cc(O)cc(C(=O)NC3CC[CH]CC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
SCN9A Q15858 10/20 0.48
ST14 Q9Y5Y6 7/20 0.48
F2 P00734 5/20 0.48
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
PLG P00747 2/20 0.48
PKM P14618 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
SCHEMBL3794040 0.86 ST14 (0.61) NPC1RAB9ASCN9AST14F2
SCHEMBL851641 0.85 ST14 (0.47) NPC1RAB9ASCN9AST14F2
SCHEMBL851322 0.84 ST14 (0.46) NPC1RAB9ASCN9AST14F2
SCHEMBL851337 0.83 NPC1 (0.71) NPC1RAB9ASCN9AST14F2
SCHEMBL3790621 0.83 ST14 (0.47) NPC1RAB9ASCN9AST14F2
SCHEMBL3788711 0.83 ST14 (0.70) NPC1ST14F2PRSS1PRSS2
SCHEMBL851551 0.82 ST14 (0.69) NPC1RAB9ASCN9AST14F2
SCHEMBL851898 0.82 NPC1 (0.54) NPC1RAB9ASCN9AST14F2
SCHEMBL850974 0.81 ST14 (0.69) NPC1RAB9ASCN9AST14F2
SCHEMBL3795204 0.80 ST14 (0.47) NPC1RAB9ASCN9AST14F2

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-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed