SCHEMBL6606032

SCHEMBL6606032

CC(C)OC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccoc4)cc3)C(=O)O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
SIGMAR1 Q99720 13/20 0.38
PRSS1 P07477 5/20 0.37
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
GRM2 Q14416 1/20 0.36
F10 P00742 2/20 0.36

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
SCHEMBL6601091 0.94 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639857 0.93 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601285 0.92 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6606830 0.90 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600694 0.89 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601019 0.89 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602056 0.89 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6606034 0.88 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7640343 0.87 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600280 0.87 ITGB3 (0.44) 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