SCHEMBL861558

SCHEMBL861558

CC(C)(C)OC(=O)NCCC1CCN(C(=O)c2cc(OCCCN(CCCOc3cc(Oc4ccc(C#N)cc4)cc(C(=O)N4CCC(CCNC(=O)OC(C)(C)C)CC4)c3)C(=O)OC(C)(C)C)cc(Oc3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
PRKAA2 P54646 3/20 0.41
GPR119 Q8TDV5 6/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
NAMPT P43490 1/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
KCNH2 Q12809 1/20 0.36
KCNA5 P22460 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SLC6A4 P31645 1/20 0.36
FASN P49327 1/20 0.36
PRKAB2 O43741 1/20 0.36
CYP3A4 P08684 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
SCHEMBL851120 0.92 PRKAA2 (0.47) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851914 0.89 PRSS1 (0.50) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851681 0.86 PRKAA2 (0.45) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852428 0.86 CHRM4 (0.43) F2PRSS1PRSS2PRSS3ST14
SCHEMBL852002 0.85 F2 (0.46) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851247 0.84 F2 (0.46) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851102 0.83 F2 (0.42) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851136 0.82 PRKAA2 (0.47) PRKAA2GPR119CCNCCDK8NAMPT
SCHEMBL851246 0.81 PRSS1 (0.45) F2PRSS1PRSS2PRSS3ST14
SCHEMBL851532 0.81 PRSS1 (0.51) F2PRSS1PRSS2PRSS3ST14

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