SCHEMBL8948780

SCHEMBL8948780

N#Cc1ccc(N2CC(CN3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
SIGMAR1 Q99720 7/20 0.46
GRM2 Q14416 7/20 0.46
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8449438 0.91 SIGMAR1 (0.45) ITGB3ITGA2BSIGMAR1GRM2FNTA
SCHEMBL8453538 0.91 SIGMAR1 (0.45) ITGB3ITGA2BSIGMAR1GRM2FNTA
SCHEMBL8948759 0.91 SIGMAR1 (0.45) ITGB3ITGA2BSIGMAR1GRM2FNTA
SCHEMBL8948773 0.89 SIGMAR1 (0.44) ITGB3ITGA2BSIGMAR1GRM2L3MBTL1
SCHEMBL8948876 0.87 SIGMAR1 (0.43) ITGB3ITGA2BSIGMAR1GRM2L3MBTL1
SCHEMBL8948708 0.87 ITGB3 (0.65) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948637 0.87 ITGB3 (0.65) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948632 0.87 ITGB3 (0.65) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL8948663 0.86 L3MBTL1 (0.49) ITGB3ITGA2BSIGMAR1GRM2L3MBTL1
SCHEMBL8948589 0.86 L3MBTL1 (0.49) ITGB3ITGA2BSIGMAR1GRM2L3MBTL1

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