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Sugi Predict / Compounds / SCHEMBL3629666

SCHEMBL3629666

SCHEMBL3629666

COc1ccc2cccc(C(NC[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.34
▸ CASR P41180 4/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL1224025 1.00 KCNH2 (0.34) KCNH2CASRGRM2HPGD
SCHEMBL1223921 0.90 KCNH2 (0.37) KCNH2
SCHEMBL3634537 0.90 KCNH2 (0.37) KCNH2
SCHEMBL1224482 0.85 KCNH2 (0.36) KCNH2
SCHEMBL1224485 0.85 KCNH2 (0.36) KCNH2
SCHEMBL1222598 0.85 KCNH2 (0.36) KCNH2
SCHEMBL1223668 0.83 GRM2 (0.34) KCNH2GRM2
SCHEMBL3630803 0.83 GRM2 (0.34) KCNH2GRM2
SCHEMBL1224128 0.83 KCNH2 (0.35) KCNH2
SCHEMBL1223870 0.83 KCNH2 (0.35) KCNH2

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