SCHEMBL7312696

SCHEMBL7312696

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.54
ITGA2B P08514 9/20 0.54
PRSS1 P07477 8/20 0.54
PRSS2 P07478 8/20 0.54
PRSS3 P35030 8/20 0.54
F10 P00742 13/20 0.53
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL7307156 0.88 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601149 0.88 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602176 0.87 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948498 0.87 ITGB3 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308588 0.87 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6604810 0.86 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7309401 0.85 ITGB3 (0.60) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6600573 0.85 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313915 0.85 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6606675 0.84 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3

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