SCHEMBL7314890

SCHEMBL7314890

CCOC(=O)CCN1CCN(CC2CN(c3ccc(C(=N)NC(=O)OC)cc3)C(=O)O2)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGA2B P08514 8/20 0.53
PRSS1 P07477 6/20 0.43
PRSS2 P07478 6/20 0.43
PRSS3 P35030 6/20 0.43
F10 P00742 9/20 0.42
GRM2 Q14416 1/20 0.41
SIGMAR1 Q99720 5/20 0.39
F2 P00734 1/20 0.37

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
SCHEMBL7313901 0.93 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313929 0.92 ITGB3 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304020 0.91 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7308012 0.91 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601266 0.90 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7309758 0.90 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7310352 0.90 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7305073 0.89 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7304339 0.89 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8318129 0.89 ITGB3 (0.55) 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