SCHEMBL7315377

SCHEMBL7315377

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
SIGMAR1 Q99720 15/20 0.44
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 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
SCHEMBL7637110 0.94 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7314800 0.90 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7307388 0.89 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600817 0.89 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6601618 0.88 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7317117 0.87 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7308804 0.86 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7315747 0.85 SIGMAR1 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7314487 0.85 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7307512 0.85 ITGB3 (0.47) 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 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