SCHEMBL8948876

SCHEMBL8948876

N#Cc1ccc(N2CC(CN3CCC(OCC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
GRM2 Q14416 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CETP P11597 1/20 0.38

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
SCHEMBL8948766 0.92 GRM2 (0.44) SIGMAR1GRM2L3MBTL1ITGB3ITGA2B
SCHEMBL8948542 0.91 SIGMAR1 (0.41) SIGMAR1GRM2L3MBTL1ITGB3ITGA2B
SCHEMBL8948773 0.88 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1ITGB3ITGA2B
SCHEMBL8457744 0.88 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1HRH3
SCHEMBL8452739 0.88 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1HRH3
SCHEMBL8451456 0.88 SIGMAR1 (0.44) SIGMAR1GRM2L3MBTL1HRH3
SCHEMBL8948834 0.88 ITGB3 (0.50) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948780 0.87 ITGB3 (0.51) SIGMAR1GRM2L3MBTL1ITGB3ITGA2B
SCHEMBL8948767 0.87 GRM2 (0.48) SIGMAR1GRM2ITGB3ITGA2B
SCHEMBL8948663 0.86 L3MBTL1 (0.49) SIGMAR1GRM2L3MBTL1ITGB3ITGA2B

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