SCHEMBL7229898

SCHEMBL7229898

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.38
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB3 P05106 10/20 0.35
ITGA2B P08514 10/20 0.35
ACACB O00763 1/20 0.34
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
PTGS2 P35354 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL7235382 0.94 GRM2 (0.38) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7235902 0.92 GRM2 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7228961 0.89 GRM2 (0.39) GRM2ITGB3ITGA2BACACBPTGS2
SCHEMBL7236113 0.86 GRM2 (0.41) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7235264 0.85 GRM2 (0.38) GRM2MAPK1L3MBTL1ACACBPTGS2
SCHEMBL7238181 0.83 GRM2 (0.38) GRM2ACACBPTGS2DPP4FAP
SCHEMBL7228101 0.83 GRM2 (0.37) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7228827 0.83 GRM2 (0.39) GRM2MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL7229579 0.83 GRM2 (0.38) GRM2MAPK1L3MBTL1ACACBPTGS2
SCHEMBL7237626 0.81 ITGB3 (0.40) GRM2MAPK1L3MBTL1ITGB3ITGA2B

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