SCHEMBL8153274

SCHEMBL8153274

NCc1ccc(N2CC(COc3cc(CC(=O)O)[nH]c3C(=O)O)OC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.45
F10 P00742 1/20 0.37

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
SCHEMBL8144596 0.91 GRM2 (0.44) GRM2
SCHEMBL8146227 0.88 ITGB3 (0.45) GRM2F10
SCHEMBL8153009 0.87 F10 (0.42) GRM2F10
SCHEMBL8137522 0.87 GRM2 (0.46) GRM2
SCHEMBL8152303 0.81 GRM2 (0.50) GRM2
SCHEMBL8147704 0.81 GRM2 (0.47) GRM2
SCHEMBL8151961 0.81 GRM2 (0.47) GRM2
SCHEMBL8146486 0.81 GRM2 (0.47) GRM2
SCHEMBL8138221 0.80 ITGB3 (0.41) GRM2F10
SCHEMBL8146882 0.80 GRM2 (0.56) 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