SCHEMBL8948625

SCHEMBL8948625

CCOC(=O)C1CN(CC2CN(c3ccc(CN)cc3)C(=O)O2)CCN1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.47
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
PRSS1 P07477 6/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
SIGMAR1 Q99720 5/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL8948594 0.88 SIGMAR1 (0.41) F10ITGB3ITGA2BSIGMAR1
SCHEMBL8948697 0.87 GRM2 (0.50) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8316389 0.87 SIGMAR1 (0.41) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8316121 0.86 ITGB3 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948785 0.83 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948680 0.83 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948704 0.83 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8316391 0.80 SIGMAR1 (0.42) F10ITGB3ITGA2BSIGMAR1
SCHEMBL8948886 0.78 ITGB3 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8313431 0.78 SIGMAR1 (0.47) F10SIGMAR1

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