SCHEMBL7229931

SCHEMBL7229931

N=C(N)NCc1cccc(N2CC(COc3ccc(CC(N)C(=O)O)cc3)OC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.49
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
SCHEMBL7228315 0.91 GRM2 (0.51) GRM2F10
SCHEMBL7235654 0.85 GRM2 (0.46) GRM2
SCHEMBL3267490 0.81 GRM2 (0.53) GRM2F10
SCHEMBL7235542 0.81 GRM2 (0.46) GRM2F10
SCHEMBL7229239 0.79 GRM2 (0.45) GRM2
SCHEMBL8146492 0.79 GRM2 (0.54) GRM2F10
SCHEMBL8153511 0.78 GRM2 (0.57) GRM2F10
SCHEMBL8146470 0.75 GRM2 (0.55) GRM2F10
SCHEMBL8143806 0.75 GRM2 (0.52) GRM2F10
SCHEMBL8146242 0.75 GRM2 (0.48) GRM2F10

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-6602876-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2003-08-05 US disclosed
US-6204280-B1 OXAZOLIDINONE DERIVATIVE, ANTICOAGULANT MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 2001-03-20 US disclosed