SCHEMBL8948629

SCHEMBL8948629

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
SIGMAR1 Q99720 18/20 0.49
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
SCHEMBL8948642 0.91 SIGMAR1 (0.52) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948662 0.88 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8451080 0.87 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948816 0.87 SIGMAR1 (0.47) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948708 0.86 ITGB3 (0.65) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948637 0.86 ITGB3 (0.65) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948632 0.86 ITGB3 (0.65) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948731 0.86 ITGB3 (0.58) ITGB3ITGA2BSIGMAR1
SCHEMBL8948678 0.85 SIGMAR1 (0.53) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8448702 0.85 SIGMAR1 (0.52) ITGB3ITGA2BSIGMAR1GRM2

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