SCHEMBL8146802

SCHEMBL8146802

NCc1ccc(N2CC(COc3cc(CC(=O)O)cc(CC(=O)O)c3)OC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.56

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
SCHEMBL8152601 0.92 GRM2 (0.65) GRM2
SCHEMBL8138805 0.92 GRM2 (0.61) GRM2
SCHEMBL8152638 0.89 GRM2 (0.53) GRM2
SCHEMBL8151833 0.87 GRM2 (0.52) GRM2
SCHEMBL8151836 0.87 GRM2 (0.53) GRM2
SCHEMBL8152885 0.87 GRM2 (0.57) GRM2
SCHEMBL8150845 0.86 GRM2 (0.51) GRM2
SCHEMBL8146242 0.86 GRM2 (0.48) GRM2
SCHEMBL8152303 0.85 GRM2 (0.50) GRM2
SCHEMBL8151961 0.85 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 2 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-5561148-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed