SCHEMBL7064676

SCHEMBL7064676

N=C(N)c1cccc(N2CC(COc3cccc(C(=O)N4CCCC4)c3)OC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.51
F10 P00742 9/20 0.51
PRSS1 P07477 2/20 0.51

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
SCHEMBL7069724 0.99 F10 (0.51) GRM2F10PRSS1
SCHEMBL7068138 0.93 F10 (0.54) GRM2F10PRSS1
SCHEMBL7070016 0.93 GRM2 (0.51) GRM2F10PRSS1
SCHEMBL7064494 0.93 GRM2 (0.50) GRM2F10PRSS1
SCHEMBL7068840 0.92 F10 (0.51) GRM2F10PRSS1
SCHEMBL7064507 0.92 F10 (0.49) GRM2F10PRSS1
SCHEMBL7389228 0.91 GRM2 (0.60) GRM2PRSS1
SCHEMBL7067677 0.86 F10 (0.51) GRM2F10
SCHEMBL7067389 0.85 GRM2 (0.54) GRM2F10
SCHEMBL7387746 0.84 GRM2 (0.59) GRM2F10PRSS1

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