SCHEMBL3630803

SCHEMBL3630803

COc1cnc2cccc(C(NC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.34
KCNH2 Q12809 2/20 0.34
MTNR1B P49286 4/20 0.33
MTNR1A P48039 3/20 0.33

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
SCHEMBL1223668 1.00 GRM2 (0.34) GRM2KCNH2MTNR1BMTNR1A
SCHEMBL1223202 0.90 KCNH2 (0.40) GRM2KCNH2
SCHEMBL3635378 0.90 KCNH2 (0.40) GRM2KCNH2
SCHEMBL1223168 0.85 KCNH2 (0.39) KCNH2
SCHEMBL3633994 0.85 KCNH2 (0.39) KCNH2
SCHEMBL1224025 0.83 KCNH2 (0.34) GRM2KCNH2
SCHEMBL3629666 0.83 KCNH2 (0.34) GRM2KCNH2
SCHEMBL1222664 0.82 KCNH2 (0.36) GRM2KCNH2MTNR1BMTNR1A
SCHEMBL1222662 0.82 KCNH2 (0.36) GRM2KCNH2MTNR1BMTNR1A
SCHEMBL591449 0.82 MTNR1B (0.42) GRM2KCNH2MTNR1BMTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP claimed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed