SCHEMBL7066362

SCHEMBL7066362

N=C(N)c1cccc(N2CC(COc3ccc4c(c3)CCCO4)OC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 18/20 0.46
SIGMAR1 Q99720 1/20 0.43
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL7066394 0.91 SIGMAR1 (0.49) GRM2SIGMAR1ITGB3ITGA2B
SCHEMBL7068542 0.85 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL7389228 0.84 GRM2 (0.60) GRM2
SCHEMBL7387746 0.84 GRM2 (0.59) GRM2
SCHEMBL7067345 0.82 GRM2 (0.55) GRM2
SCHEMBL7064629 0.81 GRM2 (0.64) GRM2
SCHEMBL7064636 0.80 GRM2 (0.60) GRM2
SCHEMBL7067364 0.80 GRM2 (0.64) GRM2
SCHEMBL7067648 0.79 GRM2 (0.55) GRM2
SCHEMBL7068146 0.79 GRM2 (0.59) 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
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO claimed
WO-2003047572-A1 USE OF 1-PHENYL-OXAZOLIDINE-2-ONE COMPOUNDS AS PROTEASE M INHIBITORS MERCK PATENT GMBH (DE) 2003-06-12 WO disclosed