SCHEMBL7230548

SCHEMBL7230548

NC(Cc1ccc(OCC2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)cc1)(C(=O)OCc1ccccc1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
F10 P00742 2/20 0.42
GRM2 Q14416 13/20 0.41

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
SCHEMBL7238107 0.94 ITGB3 (0.45) ITGB3ITGA2BF10GRM2
SCHEMBL7238095 0.89 ITGB3 (0.42) ITGB3ITGA2BF10GRM2
SCHEMBL7228412 0.87 GRM2 (0.44) ITGB3ITGA2BF10GRM2
SCHEMBL7228186 0.87 GRM2 (0.46) ITGB3ITGA2BF10GRM2
SCHEMBL7227380 0.86 GRM2 (0.45) ITGB3ITGA2BF10GRM2
SCHEMBL7227916 0.86 GRM2 (0.45) ITGB3ITGA2BF10GRM2
SCHEMBL7227353 0.84 GRM2 (0.47) ITGB3ITGA2BF10GRM2
SCHEMBL7230034 0.83 ITGB3 (0.44) ITGB3ITGA2BF10GRM2
SCHEMBL7230543 0.82 ITGB3 (0.45) ITGB3ITGA2BF10GRM2
SCHEMBL7228243 0.82 GRM2 (0.45) ITGB3ITGA2BF10GRM2

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