SCHEMBL8948642

SCHEMBL8948642

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
GRM2 Q14416 1/20 0.49

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
SCHEMBL8948629 0.91 ITGB3 (0.52) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948678 0.87 SIGMAR1 (0.53) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948816 0.87 SIGMAR1 (0.47) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948662 0.86 ITGB3 (0.51) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8448702 0.86 SIGMAR1 (0.52) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948708 0.86 ITGB3 (0.65) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948637 0.86 ITGB3 (0.65) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8948632 0.86 ITGB3 (0.65) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8451080 0.85 ITGB3 (0.49) SIGMAR1ITGB3ITGA2BGRM2
SCHEMBL8455801 0.84 ITGB3 (0.54) SIGMAR1ITGB3ITGA2BGRM2

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