SCHEMBL7388205

SCHEMBL7388205

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.42
ITGA2B P08514 10/20 0.42
F10 P00742 8/20 0.42
PRSS1 P07477 9/20 0.42
PRSS2 P07478 9/20 0.42
PRSS3 P35030 9/20 0.42
F2 P00734 1/20 0.41
SIGMAR1 Q99720 7/20 0.39

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
SCHEMBL7392003 0.88 F10 (0.47) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7386142 0.88 ITGB3 (0.42) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7389847 0.88 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7389827 0.87 TPSAB1 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7392421 0.86 F10 (0.50) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7391303 0.86 F10 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7383500 0.85 F10 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7387918 0.85 F10 (0.44) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7387830 0.85 F10 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7383582 0.85 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1PRSS2

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