SCHEMBL1385085

SCHEMBL1385085

COCC1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)CCc1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.41
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
TNIK Q9UKE5 1/20 0.32

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
SCHEMBL1385093 1.00 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL1386605 0.90 F10 (0.38) F10ITGB3ITGA2B
SCHEMBL1386603 0.90 F10 (0.38) F10ITGB3ITGA2B
SCHEMBL1384927 0.86 F10 (0.46) F10F2ITGB3ITGA2B
SCHEMBL1651383 0.86 F10 (0.46) F10F2ITGB3ITGA2B
SCHEMBL4395178 0.85 POLB (0.44) F10F2
SCHEMBL4395180 0.85 POLB (0.44) F10F2
SCHEMBL1651564 0.84 F10 (0.40) F10TNIK
SCHEMBL4399364 0.84 F10 (0.40) F10TNIK
SCHEMBL1385474 0.84 F10 (0.41) F10ITGB3ITGA2B

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