SCHEMBL850776

SCHEMBL850776

N#Cc1ccc(Oc2cc(C(=O)NC3CCNCC3)ccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SCN9A Q15858 6/20 0.47
HPGDS O60760 1/20 0.46
SMYD3 Q9H7B4 3/20 0.43
AR P10275 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
FASN P49327 1/20 0.42
KDM1A O60341 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8511755 0.88 F2 (0.54) EGLN1NPC1RAB9ASCN9AHPGDS
SCHEMBL851898 0.83 NPC1 (0.54) EGLN1NPC1RAB9ASCN9AHPGDS
SCHEMBL851787 0.77 F2 (0.56) EGLN1NPC1RAB9ASCN9AF2
SCHEMBL850777 0.74 SCN9A (0.45) EGLN1NPC1RAB9ASCN9AHPGDS
SCHEMBL13875994 0.72 PARP15 (0.43) RAB9ASCN9APKM
SCHEMBL851337 0.72 NPC1 (0.71) NPC1RAB9ASCN9AF2PRSS1
SCHEMBL851689 0.72 F2 (0.52) NPC1RAB9ASCN9AF2F10
SCHEMBL7122473 0.72 EPHX2 (0.39) EGLN1NPC1RAB9ASCN9AAR
SCHEMBL851551 0.71 ST14 (0.69) EGLN1NPC1RAB9ASCN9AF2
SCHEMBL850974 0.71 ST14 (0.69) EGLN1NPC1RAB9ASCN9AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed