SCHEMBL7392003

SCHEMBL7392003

N=C(N)c1ccc(N2CC(CN3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.47
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
PRSS1 P07477 5/20 0.42
PRSS2 P07478 5/20 0.42
PRSS3 P35030 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 7/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL7391303 0.92 F10 (0.45) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7392421 0.91 F10 (0.50) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7383500 0.90 F10 (0.45) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7387918 0.90 F10 (0.44) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7388205 0.88 ITGB3 (0.42) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7389847 0.88 ITGB3 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7386142 0.88 ITGB3 (0.42) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7389827 0.88 TPSAB1 (0.51) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7387792 0.86 F10 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7386332 0.86 ITGB3 (0.46) F10ITGB3ITGA2BPRSS1PRSS2

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-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed