SCHEMBL7229579

SCHEMBL7229579

CCC(N1CCNCC1)N1CC(COc2ccc(CC(N)C(=O)OC)cc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.38
PTGS2 P35354 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
DPP4 P27487 2/20 0.33
FAP Q12884 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
ACACB O00763 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD4 P21917 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL7235264 0.94 GRM2 (0.38) GRM2PTGS2L3MBTL1MAPK1DPP4
SCHEMBL7228296 0.92 GRM2 (0.41) GRM2L3MBTL1MAPK1POLBKMT2A
SCHEMBL7238181 0.91 GRM2 (0.38) GRM2PTGS2DPP4FAPDPP8
SCHEMBL7241291 0.89 GRM2 (0.37) GRM2PTGS2L3MBTL1MAPK1DPP4
SCHEMBL7235814 0.86 GRM2 (0.41) GRM2L3MBTL1MAPK1
SCHEMBL7235382 0.85 GRM2 (0.38) GRM2PTGS2L3MBTL1MAPK1DPP4
SCHEMBL7228961 0.83 GRM2 (0.39) GRM2PTGS2DPP4FAPDPP8
SCHEMBL7238081 0.83 GRM2 (0.41) GRM2L3MBTL1MAPK1ACACBKMT2A
SCHEMBL7229898 0.83 GRM2 (0.38) GRM2PTGS2L3MBTL1MAPK1DPP4
SCHEMBL7238185 0.81 MAPK1 (0.43) GRM2PTGS2L3MBTL1MAPK1ACACB

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 4 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
EP-0710657-B1 Antagonists of adhesion receptors MERCK PATENT GMBH (DE) 1998-08-26 EP disclosed
EP-0710657-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-08 EP disclosed