SCHEMBL7313620

SCHEMBL7313620

CCOC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccs4)cc3)C(=O)O2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
F10 P00742 13/20 0.45
PRSS1 P07477 6/20 0.40
PRSS2 P07478 6/20 0.40
PRSS3 P35030 6/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOB P27338 1/20 0.38
F2 P00734 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
SCHEMBL7306771 0.93 ITGB3 (0.50) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6600105 0.92 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7308012 0.89 ITGB3 (0.48) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7313241 0.88 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7314890 0.88 ITGB3 (0.53) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6602530 0.87 ITGB3 (0.60) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7308688 0.87 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7307284 0.86 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7304339 0.86 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7310120 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed