SCHEMBL1384686

SCHEMBL1384686

N=C(N)c1cccc(CCC(=O)N2CCN(Cc3ccc4c(N)ncnc4c3)C(=O)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
PRSS1 P07477 3/20 0.38
F2 P00734 2/20 0.38
TACR1 P25103 1/20 0.38
HPN P05981 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 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
SCHEMBL1385388 0.92 F10 (0.49) F10PRSS1HPNPRSS2PRSS3
SCHEMBL1385978 0.90 F10 (0.39) F10PRSS1F2TACR1
SCHEMBL4392721 0.84 F10 (0.57) F10
SCHEMBL1385980 0.83 F2 (0.39) F10PRSS1F2HPNST14
SCHEMBL1385984 0.83 F2 (0.39) F10PRSS1F2HPNST14
SCHEMBL4392716 0.81 F10 (0.54) F10
SCHEMBL4397193 0.81 F10 (0.56) F10
SCHEMBL27572570 0.80 F10 (0.52) F10F2
SCHEMBL1386137 0.79 F10 (0.51) F10PRSS1F2HPNPRSS2
SCHEMBL1386872 0.79 F10 (0.40) F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed