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SCHEMBL860100

SCHEMBL860100

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 11/20 0.43
▸ F2 P00734 7/20 0.43
▸ PRSS1 P07477 7/20 0.43
▸ PRSS2 P07478 7/20 0.43
▸ PRSS3 P35030 7/20 0.43
▸ PLG P00747 3/20 0.43
▸ SCN9A Q15858 5/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL851754 0.89 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL861872 0.87 ST14 (0.42) ST14F2PRSS1PRSS2PRSS3
SCHEMBL861124 0.86 NPC1 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL861820 0.84 ST14 (0.56) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851530 0.82 ST14 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL862070 0.80 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL850947 0.78 ST14 (0.55) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851954 0.78 ST14 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851366 0.78 ST14 (0.50) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851641 0.78 ST14 (0.47) ST14F2PRSS1PRSS2PRSS3

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