SCHEMBL8948593

SCHEMBL8948593

NCc1ccc(N2CC(CN3CCCC(OCC(=O)O)C3)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
F10 P00742 2/20 0.38
GRM2 Q14416 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL8948710 0.90 SIGMAR1 (0.43) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8948664 0.89 SIGMAR1 (0.45) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8311319 0.89 SIGMAR1 (0.42) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8948609 0.87 ITGB3 (0.48) SIGMAR1ITGB3ITGA2BF10F2
SCHEMBL8948674 0.86 GRM2 (0.46) SIGMAR1GRM2
SCHEMBL8311318 0.83 F10 (0.49) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8316871 0.80 SIGMAR1 (0.49) SIGMAR1F10GRM2
SCHEMBL8310716 0.80 SIGMAR1 (0.49) SIGMAR1F10GRM2
SCHEMBL8948597 0.80 SIGMAR1 (0.40) SIGMAR1ITGB3ITGA2BF10GRM2
SCHEMBL8316462 0.79 SIGMAR1 (0.46) SIGMAR1ITGB3ITGA2BF10GRM2

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