SCHEMBL7303544

SCHEMBL7303544

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccc5ccccc45)cc3)C(=O)O2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
PRSS1 P07477 6/20 0.39
PRSS2 P07478 6/20 0.39
PRSS3 P35030 6/20 0.39
F10 P00742 8/20 0.37
SIGMAR1 Q99720 2/20 0.35
GRM2 Q14416 1/20 0.35
CASR P41180 2/20 0.35
ALDH1A1 P00352 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL6601613 0.90 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308006 0.90 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7307280 0.90 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7314885 0.88 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7310417 0.87 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313896 0.87 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308685 0.86 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7303546 0.86 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304334 0.85 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7309753 0.85 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