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SCHEMBL7313130

SCHEMBL7313130

CCOC(=O)C1CCN(CC2CN(c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.54
▸ ITGB3 P05106 7/20 0.54
▸ ITGA2B P08514 7/20 0.54
▸ PRSS1 P07477 6/20 0.54
▸ PRSS2 P07478 6/20 0.54
▸ PRSS3 P35030 6/20 0.54
▸ EGFR P00533 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7313263 0.91 ITGB3 (0.54) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7307156 0.90 ITGB3 (0.59) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7309401 0.89 ITGB3 (0.60) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6601240 0.89 ITGB3 (0.51) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6601284 0.89 ITGB3 (0.51) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6605489 0.88 ITGB3 (0.60) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7304351 0.88 ITGB3 (0.53) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6601237 0.87 ITGB3 (0.49) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7313697 0.86 ITGB3 (0.57) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948498 0.85 ITGB3 (0.61) F10ITGB3ITGA2BPRSS1PRSS2

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