SCHEMBL7315747

SCHEMBL7315747

CCOC(=O)CC1(O)CCN(CC2CN(c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
SCHEMBL7317117 0.92 ITGB3 (0.55) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7313108 0.91 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7314800 0.91 ITGB3 (0.50) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7317591 0.90 ITGB3 (0.49) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6601403 0.88 ITGB3 (0.62) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7307388 0.88 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948706 0.88 ITGB3 (0.54) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL6600680 0.87 ITGB3 (0.53) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7313908 0.86 ITGB3 (0.50) SIGMAR1ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7315377 0.85 ITGB3 (0.47) SIGMAR1ITGB3ITGA2BPRSS1PRSS2

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