SCHEMBL6605489

SCHEMBL6605489

CCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.60
ITGA2B P08514 8/20 0.60
SIGMAR1 Q99720 6/20 0.42
PRSS1 P07477 7/20 0.42
PRSS2 P07478 7/20 0.42
PRSS3 P35030 7/20 0.42
F10 P00742 4/20 0.42
GRM2 Q14416 2/20 0.39
MASP2 O00187 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
SCHEMBL6604918 0.95 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602831 0.94 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7632999 0.93 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600970 0.93 ITGB3 (0.57) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600475 0.93 ITGB3 (0.52) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601240 0.92 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601284 0.92 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600690 0.92 ITGB3 (0.68) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600687 0.92 ITGB3 (0.68) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602357 0.92 ITGB3 (0.68) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed