SCHEMBL862070

SCHEMBL862070

CC(C)(C)OC(=O)N(C1CCC(NC(=O)c2cc(OCc3cccc([N+](=O)[O-])c3)cc(Oc3ccc(C#N)cc3)c2)CC1)C1CCC(NC(=O)c2cc(OCc3cccc([N+](=O)[O-])c3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 8/20 0.46
PRSS1 P07477 7/20 0.46
PRSS2 P07478 7/20 0.46
PRSS3 P35030 7/20 0.46
F2 P00734 6/20 0.46
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PLG P00747 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL8509724 0.91 ST14 (0.49) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861872 0.88 ST14 (0.42) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3803821 0.85 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861820 0.85 ST14 (0.56) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851813 0.81 ST14 (0.53) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861124 0.80 NPC1 (0.45) ST14PRSS1PRSS2PRSS3F2
SCHEMBL860100 0.80 ST14 (0.43) ST14PRSS1PRSS2PRSS3F2
SCHEMBL8509922 0.79 ST14 (0.53) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851900 0.79 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851656 0.78 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2

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