SCHEMBL8948839

SCHEMBL8948839

CCOC(=O)C1CCCN1CC1CN(c2ccc(CN)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.49
F2 P00734 1/20 0.49
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
PRSS1 P07477 6/20 0.48
PRSS2 P07478 6/20 0.48
PRSS3 P35030 6/20 0.48
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 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
SCHEMBL8948882 0.87 ITGB3 (0.61) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8312680 0.86 F10 (0.42) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8948753 0.86 GRM2 (0.51) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8948802 0.83 F10 (0.51) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8315140 0.83 F10 (0.41) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8948680 0.83 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948785 0.83 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948704 0.83 F10 (0.58) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL8948886 0.80 ITGB3 (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8312681 0.80 F10 (0.40) F10F2ITGB3ITGA2BPRSS1

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