SCHEMBL8948802

SCHEMBL8948802

CCOC(=O)C1CCCCN1CC1CN(c2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.51
F2 P00734 1/20 0.51
GRM2 Q14416 1/20 0.50
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 4/20 0.42
PRSS3 P35030 4/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 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
SCHEMBL8948753 0.97 GRM2 (0.51) F10F2GRM2ITGB3ITGA2B
SCHEMBL8948606 0.88 GRM2 (0.47) F10F2GRM2
SCHEMBL8948645 0.88 FKBP1A (0.44) F10F2GRM2
SCHEMBL8315766 0.87 GRM2 (0.50) F10F2GRM2
SCHEMBL8448358 0.86 GRM2 (0.48) F10F2GRM2ITGB3ITGA2B
SCHEMBL8948811 0.85 GRM2 (0.48) F10F2GRM2
SCHEMBL8948620 0.85 L3MBTL1 (0.44) GRM2
SCHEMBL8316229 0.84 GRM2 (0.51) F10F2GRM2
SCHEMBL8948839 0.83 F10 (0.49) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8450720 0.83 GRM2 (0.49) F10F2GRM2ITGB3ITGA2B

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