SCHEMBL3660374

SCHEMBL3660374

COc1ccc2ncc(F)c(CNC[C@@H](O)C(O)[C@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.49

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
SCHEMBL592552 1.00 KCNH2 (0.49) KCNH2
SCHEMBL591175 1.00 KCNH2 (0.49) KCNH2
SCHEMBL591176 1.00 KCNH2 (0.49) KCNH2
SCHEMBL592204 0.91 KCNH2 (0.50) KCNH2
SCHEMBL590630 0.91 KCNH2 (0.50) KCNH2
SCHEMBL590631 0.91 KCNH2 (0.50) KCNH2
SCHEMBL592205 0.91 KCNH2 (0.50) KCNH2
SCHEMBL590171 0.89 KCNH2 (0.47) KCNH2
SCHEMBL592764 0.89 KCNH2 (0.47) KCNH2
SCHEMBL591026 0.89 KCNH2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed