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SCHEMBL861937

SCHEMBL861937

CC(C)(C)OC(=O)N(C1CCC(NC(=O)c2cc(O)cc(Oc3ccc(CN)cc3)c2)CC1)C1CCC(NC(=O)c2cc(O)cc(Oc3ccc(CN)cc3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 18/20 0.60
▸ PRSS1 P07477 11/20 0.60
▸ PRSS2 P07478 11/20 0.60
▸ PRSS3 P35030 11/20 0.60
▸ F2 P00734 14/20 0.54
▸ PLG P00747 3/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.39

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
SCHEMBL851774 0.88 ST14 (0.66) ST14PRSS1PRSS2PRSS3F2
SCHEMBL850693 0.83 ST14 (0.72) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3788711 0.81 ST14 (0.70) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861820 0.79 ST14 (0.56) ST14PRSS1PRSS2PRSS3F2
SCHEMBL852195 0.77 ST14 (0.51) ST14PRSS1PRSS2PRSS3F2
SCHEMBL860100 0.77 ST14 (0.43) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861124 0.76 NPC1 (0.45) ST14PRSS1PRSS2PRSS3F2
SCHEMBL851502 0.76 ST14 (1.00) ST14PRSS1PRSS2PRSS3F2
SCHEMBL861872 0.75 ST14 (0.42) ST14PRSS1PRSS2PRSS3F2
SCHEMBL3794405 0.75 ST14 (0.48) 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