SCHEMBL8948766

SCHEMBL8948766

N#Cc1ccc(N2CC(CN3CC(OCC(=O)OCc4ccccc4)C3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.44
SIGMAR1 Q99720 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 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
SCHEMBL8948876 0.92 SIGMAR1 (0.43) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8948542 0.92 SIGMAR1 (0.41) GRM2SIGMAR1L3MBTL1FNTAFNTB
SCHEMBL8948619 0.87 GRM2 (0.52) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8948845 0.86 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948780 0.86 ITGB3 (0.51) GRM2SIGMAR1L3MBTL1FNTAFNTB
SCHEMBL8449438 0.84 SIGMAR1 (0.45) GRM2SIGMAR1L3MBTL1FNTAFNTB
SCHEMBL8453538 0.84 SIGMAR1 (0.45) GRM2SIGMAR1L3MBTL1FNTAFNTB
SCHEMBL8948759 0.84 SIGMAR1 (0.45) GRM2SIGMAR1L3MBTL1FNTAFNTB
SCHEMBL8948773 0.83 SIGMAR1 (0.44) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8948688 0.83 GRM2 (0.48) GRM2SIGMAR1ITGB3ITGA2B

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