SCHEMBL8948710

SCHEMBL8948710

NCc1ccc(N2CC(CN3CC(OCC(=O)O)C3)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.43
GRM2 Q14416 4/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL8948664 0.91 SIGMAR1 (0.45) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8948593 0.90 SIGMAR1 (0.41) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8948777 0.87 ITGB3 (0.51) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8948685 0.85 ITGB3 (0.48) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8948845 0.84 GRM2 (0.51) SIGMAR1GRM2
SCHEMBL8316400 0.81 ITGB3 (0.50) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8316462 0.80 SIGMAR1 (0.46) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8310904 0.80 SIGMAR1 (0.46) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8312579 0.80 SIGMAR1 (0.46) SIGMAR1GRM2ITGB3ITGA2BF10
SCHEMBL8948703 0.80 SIGMAR1 (0.36) SIGMAR1GRM2ITGB3ITGA2BF10

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