SCHEMBL8948682

SCHEMBL8948682

CCOC(=O)C1CCCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.52
GRM2 Q14416 1/20 0.50
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL8948784 0.90 GRM2 (0.53) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8948675 0.90 GRM2 (0.53) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8948634 0.88 GRM2 (0.47) F10GRM2
SCHEMBL8948686 0.88 L3MBTL1 (0.47) F10GRM2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8948743 0.87 GRM2 (0.50) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8446291 0.86 GRM2 (0.48) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8948753 0.84 GRM2 (0.51) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8948657 0.84 GRM2 (0.47) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8948697 0.84 GRM2 (0.50) F10GRM2ITGB3ITGA2BPRSS1
SCHEMBL8948802 0.82 F10 (0.51) F10GRM2ALDH1A1KDM4EITGB3

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