SCHEMBL8948728

SCHEMBL8948728

CC(C)(C)OC(=O)CN1CCN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
GRM2 Q14416 3/20 0.50
SIGMAR1 Q99720 14/20 0.46
AR P10275 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
SCHEMBL8948796 0.88 GRM2 (0.48) ITGB3ITGA2BGRM2SIGMAR1AR
SCHEMBL8948632 0.87 ITGB3 (0.65) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL8948637 0.87 ITGB3 (0.65) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL8948708 0.87 ITGB3 (0.65) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL8948795 0.86 GRM2 (0.46) ITGB3ITGA2BGRM2SIGMAR1AR
SCHEMBL8948671 0.86 GRM2 (0.49) ITGB3ITGA2BGRM2SIGMAR1AR
SCHEMBL8948666 0.86 GRM2 (0.49) ITGB3ITGA2BGRM2SIGMAR1AR
SCHEMBL8948688 0.85 GRM2 (0.48) ITGB3ITGA2BGRM2SIGMAR1AR
SCHEMBL8313964 0.85 GRM2 (0.54) ITGB3ITGA2BGRM2SIGMAR1
SCHEMBL8448374 0.84 GRM2 (0.48) ITGB3ITGA2BGRM2SIGMAR1AR

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