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SCHEMBL861820

SCHEMBL861820

CC(C)(C)OC(=O)N(C1CCC(NC(=O)c2cc(OCc3ccc(Br)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1)C1CCC(NC(=O)c2cc(OCc3ccc(Br)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ST14 Q9Y5Y6 12/20 0.56
▸ F2 P00734 10/20 0.56
▸ PRSS1 P07477 9/20 0.56
▸ PRSS2 P07478 9/20 0.56
▸ PRSS3 P35030 9/20 0.56
▸ SLC6A5 Q9Y345 6/20 0.41
▸ SMPD1 P17405 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL851057 0.90 ST14 (0.60) ST14F2PRSS1PRSS2PRSS3
SCHEMBL861124 0.86 NPC1 (0.45) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851598 0.85 ST14 (0.57) ST14F2PRSS1PRSS2PRSS3
SCHEMBL862070 0.85 ST14 (0.46) ST14F2PRSS1PRSS2PRSS3
SCHEMBL860100 0.84 ST14 (0.43) ST14F2PRSS1PRSS2PRSS3
SCHEMBL861872 0.82 ST14 (0.42) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851954 0.82 ST14 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851900 0.81 ST14 (0.51) ST14F2PRSS1PRSS2PRSS3
SCHEMBL851254 0.81 ST14 (0.52) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8511761 0.81 ST14 (0.53) 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