SCHEMBL6601409

SCHEMBL6601409

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)Oc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.48

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
SCHEMBL6601383 0.91 GRM2 (0.48) GRM2
SCHEMBL7637118 0.89 ITGB3 (0.48) GRM2
SCHEMBL6601789 0.89 GRM2 (0.45) GRM2
SCHEMBL6600722 0.89 GRM2 (0.45) GRM2
SCHEMBL6600718 0.89 GRM2 (0.45) GRM2
SCHEMBL6601596 0.89 GRM2 (0.42) GRM2
SCHEMBL6601603 0.89 GRM2 (0.42) GRM2
SCHEMBL6605350 0.88 GRM2 (0.44) GRM2
SCHEMBL7639664 0.87 ITGB3 (0.44) GRM2
SCHEMBL7639772 0.87 ITGB3 (0.55) GRM2

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
EP-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed