SCHEMBL18544221

SCHEMBL18544221

COc1cnc2ccc(F)c(CN[C@@H]3CCC(NCc4cnc5c(n4)NC(=O)CO5)C[C@@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.51

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
SCHEMBL18529117 1.00 KCNH2 (0.51) KCNH2
SCHEMBL20687543 1.00 KCNH2 (0.51) KCNH2
SCHEMBL18543810 1.00 KCNH2 (0.51) KCNH2
Hydrochloric Acid SCHEMBL20679485 0.99 KCNH2 (0.50) KCNH2
Hydrochloric Acid SCHEMBL20679504 0.99 KCNH2 (0.50) KCNH2
SCHEMBL20679248 0.92 KCNH2 (0.48) KCNH2
SCHEMBL18529147 0.92 KCNH2 (0.48) KCNH2
SCHEMBL18529146 0.92 KCNH2 (0.51) KCNH2
SCHEMBL20679402 0.92 KCNH2 (0.46) KCNH2
SCHEMBL20679508 0.92 KCNH2 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 WO disclosed