SCHEMBL18529137

SCHEMBL18529137

COc1ccc2nccc(CN[C@H]3CC[C@H](NCc4cnc5c(n4)NC(=O)CS5)CC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46

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
SCHEMBL18529139 1.00 KCNH2 (0.46) KCNH2
SCHEMBL18529122 0.91 KCNH2 (0.40) KCNH2
SCHEMBL20679420 0.91 KCNH2 (0.40) KCNH2
SCHEMBL18529028 0.90 KCNH2 (0.42) KCNH2
SCHEMBL20679469 0.90 KCNH2 (0.42) KCNH2
SCHEMBL20679422 0.89 KCNH2 (0.44) KCNH2
SCHEMBL20679509 0.88 MTNR1A (0.43) KCNH2
SCHEMBL20679189 0.87 KCNH2 (0.45) KCNH2
SCHEMBL18529179 0.87 KCNH2 (0.56) KCNH2
SCHEMBL18529182 0.87 KCNH2 (0.56) 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-3334739-A2 ANTIBACTERIAL AGENTS COMPRISING A PYRAZINO[2,3-B][1,4]OXAZIN-3-ONE OR A RELATED RING SYSTEM GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-06-20 EP claimed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 WO claimed