SCHEMBL8948798

SCHEMBL8948798

CCOC(=O)C1CCN(C[C@H]2CN(c3ccc(C(=N)N)cc3)C(=O)O2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.72
ITGA2B P08514 10/20 0.72
PRSS1 P07477 9/20 0.72
PRSS2 P07478 9/20 0.72
PRSS3 P35030 9/20 0.72
F10 P00742 13/20 0.70
F2 P00734 1/20 0.52
LGMN Q99538 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8948761 1.00 ITGB3 (0.72) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948829 1.00 ITGB3 (0.72) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948498 0.89 ITGB3 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948763 0.87 F10 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948668 0.87 F10 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7307156 0.87 ITGB3 (0.59) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948672 0.87 F10 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8316694 0.87 ITGB3 (0.56) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948680 0.87 F10 (0.58) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8948785 0.87 F10 (0.58) 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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed