SCHEMBL7235902

SCHEMBL7235902

CCCC(C1CCNCC1)N1CC(COc2ccc(CC(N)C(=O)O)cc2)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.41
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 11/20 0.37
ITGA2B P08514 11/20 0.37
ITGAV P06756 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL7236113 0.94 GRM2 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7229898 0.92 GRM2 (0.38) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7229606 0.89 GRM2 (0.42) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7235382 0.86 GRM2 (0.38) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7235814 0.85 GRM2 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7236454 0.82 GRM2 (0.40) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7228296 0.82 GRM2 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7238081 0.82 GRM2 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7228295 0.81 ITGB3 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7228961 0.80 GRM2 (0.39) GRM2ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed