SCHEMBL861124

SCHEMBL861124

CC(C)(C)OC(=O)N(C1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3cccc(Br)c3)c2)CC1)C1CCC(NC(=O)c2cc(Oc3ccc(C#N)cc3)cc(Oc3cccc(Br)c3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
ST14 Q9Y5Y6 10/20 0.42
PRSS1 P07477 7/20 0.42
PRSS2 P07478 7/20 0.42
PRSS3 P35030 7/20 0.42
PKM P14618 1/20 0.41
F2 P00734 8/20 0.41
PLG P00747 2/20 0.41
SCN9A Q15858 3/20 0.41
GPR119 Q8TDV5 1/20 0.39
RAB9A P51151 1/20 0.37
AR P10275 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL852305 0.89 NPC1 (0.48) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL860100 0.86 ST14 (0.43) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL861820 0.86 ST14 (0.56) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861872 0.84 ST14 (0.42) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL851954 0.81 ST14 (0.48) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL862070 0.80 ST14 (0.46) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851530 0.79 ST14 (0.52) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL851900 0.79 ST14 (0.51) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL851301 0.76 ST14 (0.62) NPC1ST14PRSS1PRSS2PRSS3
SCHEMBL851665 0.76 ST14 (0.50) NPC1ST14PRSS1PRSS2PRSS3

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