SCHEMBL8948648

SCHEMBL8948648

CCOC(=O)CC1CCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.51
ITGA2B P08514 3/20 0.51
GRM2 Q14416 1/20 0.51
USP14 P54578 2/20 0.47
SIGMAR1 Q99720 13/20 0.44
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42

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
SCHEMBL8948796 0.88 GRM2 (0.48) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL8948632 0.88 ITGB3 (0.65) ITGB3ITGA2BGRM2USP14SIGMAR1
SCHEMBL8948637 0.88 ITGB3 (0.65) ITGB3ITGA2BGRM2USP14SIGMAR1
SCHEMBL8948708 0.88 ITGB3 (0.65) ITGB3ITGA2BGRM2USP14SIGMAR1
SCHEMBL8948773 0.88 SIGMAR1 (0.44) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL8948834 0.87 ITGB3 (0.50) ITGB3ITGA2BGRM2SIGMAR1F10
SCHEMBL8948784 0.87 GRM2 (0.53) ITGB3ITGA2BGRM2SIGMAR1F10
SCHEMBL8948675 0.87 GRM2 (0.53) ITGB3ITGA2BGRM2SIGMAR1F10
SCHEMBL8310660 0.86 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8455801 0.86 ITGB3 (0.54) ITGB3ITGA2BGRM2SIGMAR1

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