SCHEMBL8948657

SCHEMBL8948657

CCOC(=O)COC1CCCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
SIGMAR1 Q99720 11/20 0.42
DRD4 P21917 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
F10 P00742 3/20 0.39
USP14 P54578 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL8948619 0.91 GRM2 (0.52) GRM2ITGB3ITGA2BSIGMAR1
SCHEMBL8948834 0.91 ITGB3 (0.50) GRM2ITGB3ITGA2BSIGMAR1F10
SCHEMBL8948850 0.89 GRM2 (0.44) GRM2ITGB3ITGA2BSIGMAR1DRD4
SCHEMBL8948674 0.89 GRM2 (0.46) GRM2SIGMAR1DRD4TMEM97
SCHEMBL8948542 0.89 SIGMAR1 (0.41) GRM2ITGB3ITGA2BSIGMAR1DRD4
SCHEMBL8446291 0.88 GRM2 (0.48) GRM2ITGB3ITGA2BSIGMAR1DRD4
SCHEMBL8948682 0.84 F10 (0.52) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL8453566 0.83 GRM2 (0.48) GRM2SIGMAR1DRD4TMEM97
SCHEMBL8948708 0.82 ITGB3 (0.65) GRM2ITGB3ITGA2BSIGMAR1USP14
SCHEMBL8948637 0.82 ITGB3 (0.65) GRM2ITGB3ITGA2BSIGMAR1USP14

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