SCHEMBL7238093

SCHEMBL7238093

O=C(NC(Cc1ccc(OCC2CN(c3ccc(-c4noc(=O)[nH]4)cc3)C(=O)O2)cc1)C(=O)OCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
F10 P00742 1/20 0.43
GRM2 Q14416 10/20 0.40
TGM2 P21980 2/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7238103 0.90 ITGB3 (0.48) ITGB3ITGA2BF10GRM2
SCHEMBL7230543 0.89 ITGB3 (0.45) ITGB3ITGA2BF10GRM2MAPT
SCHEMBL7228184 0.87 GRM2 (0.46) ITGB3ITGA2BF10GRM2
SCHEMBL7228406 0.85 ITGB3 (0.45) ITGB3ITGA2BF10GRM2MAPT
SCHEMBL7227913 0.85 GRM2 (0.45) ITGB3ITGA2BF10GRM2
SCHEMBL7227376 0.85 GRM2 (0.45) ITGB3ITGA2BF10GRM2
SCHEMBL7230030 0.85 ITGB3 (0.46) ITGB3ITGA2BF10GRM2
SCHEMBL7227349 0.84 GRM2 (0.46) ITGB3ITGA2BF10GRM2
SCHEMBL7238110 0.83 ITGB3 (0.48) ITGB3ITGA2BF10GRM2
SCHEMBL7238095 0.83 ITGB3 (0.42) 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