SCHEMBL8145281

SCHEMBL8145281

COC(=O)Cc1ccc(OCC2CN(c3ccc(CN)cc3)C(=O)O2)c(CC(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.46

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
SCHEMBL8147075 0.93 GRM2 (0.46) GRM2
SCHEMBL8145702 0.90 GRM2 (0.51) GRM2
SCHEMBL8137355 0.89 ITGB3 (0.49) GRM2
SCHEMBL8151583 0.89 GRM2 (0.47) GRM2
SCHEMBL8151692 0.88 F10 (0.44) GRM2
SCHEMBL8146486 0.88 GRM2 (0.47) GRM2
SCHEMBL8153436 0.87 GRM2 (0.44) GRM2
SCHEMBL8146916 0.86 GRM2 (0.43) GRM2
SCHEMBL8152953 0.86 GRM2 (0.62) GRM2
SCHEMBL8151480 0.86 GRM2 (0.48) 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