SCHEMBL7308020

SCHEMBL7308020

N=C(N)c1ccc(N2CC(CN3CCC(CC(=O)O)(C(=O)C(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
ITGA2B P08514 9/20 0.47
PRSS1 P07477 6/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
F10 P00742 3/20 0.47
SIGMAR1 Q99720 11/20 0.47
F2 P00734 1/20 0.46

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
SCHEMBL8858122 0.93 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8312371 0.88 SIGMAR1 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8318373 0.88 ITGB3 (0.49) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316580 0.84 SIGMAR1 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8314525 0.84 SIGMAR1 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948622 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948808 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6156619 0.82 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8314528 0.81 SIGMAR1 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316586 0.81 SIGMAR1 (0.52) 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-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed