SCHEMBL7235654

SCHEMBL7235654

N=C(N)NCc1ccccc1N1CC(COc2ccc(CC(N)C(=O)O)cc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.46
TPH1 P17752 9/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL7228315 0.86 GRM2 (0.51) GRM2ITGB3ITGA2B
SCHEMBL7229931 0.85 GRM2 (0.49) GRM2
SCHEMBL7240907 0.84 ITGB3 (0.51) GRM2ITGB3ITGA2B
SCHEMBL7240309 0.80 ITGB3 (0.44) GRM2ITGB3ITGA2B
SCHEMBL7235962 0.80 GRM2 (0.43) GRM2
SCHEMBL7237956 0.79 GRM2 (0.41) GRM2
SCHEMBL3267490 0.78 GRM2 (0.53) GRM2ITGB3ITGA2B
SCHEMBL8146492 0.74 GRM2 (0.54) GRM2ITGB3ITGA2B
SCHEMBL7239759 0.73 ITGB3 (0.56) GRM2ITGB3ITGA2B
SCHEMBL7228484 0.72 GRM2 (0.41) GRM2ITGB3ITGA2B

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