SCHEMBL7428581

SCHEMBL7428581

N=C(N)c1ccc(N2CC(CN3CCN(S(=O)(=O)CCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.45
ITGA2B P08514 10/20 0.45
PRSS1 P07477 10/20 0.45
PRSS2 P07478 10/20 0.45
PRSS3 P35030 10/20 0.45
F10 P00742 8/20 0.45
F2 P00734 1/20 0.45
SIGMAR1 Q99720 5/20 0.44
GRM2 Q14416 1/20 0.43
LMNA P02545 1/20 0.42
HPN P05981 1/20 0.41
HGFAC Q04756 1/20 0.41
ST14 Q9Y5Y6 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
SCHEMBL7384783 0.91 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
Benzene SCHEMBL27516341 0.89 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7380635 0.86 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8315175 0.86 F10 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7390127 0.85 PRSS1 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7421719 0.84 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7386932 0.84 GRM2 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7384989 0.83 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7389069 0.83 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7389816 0.82 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3

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