SCHEMBL8948688

SCHEMBL8948688

CC(C)(C)OC(=O)COC1CN(CC2CN(c3ccc(C#N)cc3)C(=O)O2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.48
SIGMAR1 Q99720 9/20 0.40
AR P10275 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL8948795 0.92 GRM2 (0.46) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8948850 0.91 GRM2 (0.44) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8948619 0.88 GRM2 (0.52) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948845 0.86 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948728 0.85 ITGB3 (0.51) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8948766 0.83 GRM2 (0.44) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948796 0.83 GRM2 (0.48) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8448374 0.81 GRM2 (0.48) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8458494 0.81 GRM2 (0.48) GRM2SIGMAR1ARITGB3ITGA2B
SCHEMBL8453560 0.80 GRM2 (0.46) GRM2SIGMAR1AR

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