SCHEMBL3633217

SCHEMBL3633217

COc1ccc2nccc(N(C[C@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CCNCC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
CCR8 P51685 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
SCHEMBL3634497 0.87 KCNH2 (0.34) KCNH2CCR8
SCHEMBL3635129 0.85 GRM2 (0.41) CCR8
SCHEMBL3636474 0.84 MAOA (0.33) KCNH2
SCHEMBL3633094 0.84 KCNH2 (0.38) KCNH2CCR8
SCHEMBL1222642 0.83 KCNH2 (0.36) KCNH2
SCHEMBL1222645 0.83 KCNH2 (0.36) KCNH2
SCHEMBL3635696 0.83 GRM2 (0.38) CCR8
SCHEMBL3629692 0.82 HPGD (0.33) KCNH2
SCHEMBL3629665 0.82 KCNH2 (0.32) KCNH2
SCHEMBL1224582 0.82 KCNH2 (0.32) KCNH2CCR8

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
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