SCHEMBL8147704

SCHEMBL8147704

NCc1ccc(N2CC(COc3c[nH]cc3CC(=O)O)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.47

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
SCHEMBL8153436 0.90 GRM2 (0.44) GRM2
SCHEMBL8146882 0.87 GRM2 (0.56) GRM2
SCHEMBL8145276 0.87 ITGB3 (0.47) GRM2
SCHEMBL8145884 0.86 F10 (0.45) GRM2
SCHEMBL8151961 0.86 GRM2 (0.47) GRM2
SCHEMBL8151989 0.86 GRM2 (0.49) GRM2
SCHEMBL8146486 0.86 GRM2 (0.47) GRM2
SCHEMBL8148146 0.85 GRM2 (0.47) GRM2
SCHEMBL8147894 0.85 GRM2 (0.52) GRM2
SCHEMBL8145541 0.83 GRM2 (0.45) 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 3 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