SCHEMBL8948753

SCHEMBL8948753

CCOC(=O)C1CCCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.51
F10 P00742 12/20 0.48
F2 P00734 1/20 0.48
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
PRSS1 P07477 6/20 0.43
PRSS2 P07478 6/20 0.43
PRSS3 P35030 6/20 0.43

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
SCHEMBL8948802 0.97 F10 (0.51) GRM2F10F2ITGB3ITGA2B
SCHEMBL8948811 0.88 GRM2 (0.48) GRM2F10F2
SCHEMBL8948620 0.88 L3MBTL1 (0.44) GRM2
SCHEMBL8316229 0.86 GRM2 (0.51) GRM2F10F2
SCHEMBL8948839 0.86 F10 (0.49) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8450720 0.85 GRM2 (0.49) GRM2F10F2ITGB3ITGA2B
SCHEMBL8948606 0.85 GRM2 (0.47) GRM2F10F2
SCHEMBL8948645 0.85 FKBP1A (0.44) GRM2F10F2
SCHEMBL8948682 0.84 F10 (0.52) GRM2F10ITGB3ITGA2BPRSS1
SCHEMBL8948882 0.84 ITGB3 (0.61) GRM2F10F2ITGB3ITGA2B

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