SCHEMBL8948714

SCHEMBL8948714

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.43
SIGMAR1 Q99720 8/20 0.41
F10 P00742 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 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
SCHEMBL8948669 0.91 SIGMAR1 (0.43) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL8948597 0.90 SIGMAR1 (0.40) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL27356121 0.88 GRM2 (0.42) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL8948691 0.85 ITGB3 (0.49) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL8948849 0.84 GRM2 (0.52) GRM2SIGMAR1
SCHEMBL27363029 0.81 ITGB3 (0.44) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL27373853 0.81 SIGMAR1 (0.39) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL8316400 0.80 ITGB3 (0.50) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL8948710 0.80 SIGMAR1 (0.43) GRM2SIGMAR1F10ITGB3ITGA2B
SCHEMBL8948621 0.79 F10 (0.52) GRM2SIGMAR1F10ITGB3ITGA2B

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