SCHEMBL8137990

SCHEMBL8137990

COC(=O)Cc1cc(OCC2CN(c3ccc(C#N)cc3)C(=O)O2)c(C(=O)O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.45

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
SCHEMBL8137522 0.91 GRM2 (0.46) GRM2
SCHEMBL8144596 0.88 GRM2 (0.44) GRM2
SCHEMBL8147245 0.87 ITGB3 (0.46) GRM2
SCHEMBL8138221 0.84 ITGB3 (0.41) GRM2
SCHEMBL8151456 0.82 GRM2 (0.48) GRM2
SCHEMBL8147829 0.81 GRM2 (0.48) GRM2
SCHEMBL8153467 0.81 GRM2 (0.45) GRM2
SCHEMBL8954932 0.81 GRM2 (0.38) GRM2
SCHEMBL8152586 0.81 GRM2 (0.51) GRM2
SCHEMBL8151583 0.80 GRM2 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028090-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-22 US disclosed
US-5723480-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-03 US disclosed
US-5561148-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0645376-A1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1995-03-29 EP disclosed