SCHEMBL8948592

SCHEMBL8948592

N#Cc1ccc(N2CC(CN3CCCC(CC(=O)OCc4ccccc4)C3)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.42
SIGMAR1 Q99720 7/20 0.41
USP14 P54578 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CHRM4 P08173 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
SCHEMBL8948773 0.91 SIGMAR1 (0.44) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8948542 0.87 SIGMAR1 (0.41) GRM2SIGMAR1L3MBTL1BCHEMAOB
SCHEMBL8948686 0.87 L3MBTL1 (0.47) GRM2SIGMAR1L3MBTL1
SCHEMBL8948730 0.86 ITGB3 (0.48) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL8450620 0.85 GRM2 (0.42) GRM2SIGMAR1L3MBTL1BCHEMAOB
SCHEMBL8948780 0.85 ITGB3 (0.51) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8449438 0.83 SIGMAR1 (0.45) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8453538 0.83 SIGMAR1 (0.45) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8948759 0.83 SIGMAR1 (0.45) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B
SCHEMBL8948876 0.83 SIGMAR1 (0.43) GRM2SIGMAR1L3MBTL1ITGB3ITGA2B

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