SCHEMBL7228484

SCHEMBL7228484

N=C(N)N1CCC(N2CC(COc3ccc(CC(N)C(=O)O)cc3)OC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.41
ADRB3 P13945 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 3/20 0.35
F10 P00742 2/20 0.35
PTPN1 P18031 1/20 0.35
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL7229801 0.91 GRM2 (0.39) GRM2ADRB3F2PRSS1MAPK1
SCHEMBL7239121 0.86 GRM2 (0.41) GRM2ADRB3ITGB3ITGA2BMAPK1
SCHEMBL7228333 0.86 MAPK1 (0.41) GRM2ITGB3ITGA2BF2PRSS1
SCHEMBL7228645 0.85 GRM2 (0.41) GRM2ITGB3ITGA2BF2PRSS1
SCHEMBL7228295 0.85 ITGB3 (0.41) GRM2ADRB3ITGB3ITGA2BMAPK1
SCHEMBL7236454 0.84 GRM2 (0.40) GRM2ITGB3ITGA2BF2PRSS1
SCHEMBL7228656 0.84 MAPK1 (0.43) GRM2ITGB3ITGA2BF2PRSS1
SCHEMBL7236467 0.83 MAPK1 (0.46) GRM2ITGB3ITGA2BF2PRSS1
SCHEMBL7238538 0.82 MAPK1 (0.45) GRM2ITGB3ITGA2BMAPK1L3MBTL1
SCHEMBL7238523 0.82 GRM2 (0.41) GRM2ITGB3ITGA2BF2PRSS1

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