SCHEMBL18544255

SCHEMBL18544255

COc1ccc2ncc(=O)n(CCN3CC[C@@H](CI)C3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 0.56

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
SCHEMBL18544260 0.91 KCNH2 (0.56) KCNH2
SCHEMBL18544186 0.90 KCNH2 (0.56) KCNH2
SCHEMBL18544187 0.90 KCNH2 (0.56) KCNH2
Hydrochloric Acid SCHEMBL18529085 0.89 KCNH2 (0.55) KCNH2
Hydrochloric Acid SCHEMBL18529086 0.89 KCNH2 (0.55) KCNH2
SCHEMBL18529059 0.85 KCNH2 (0.55) KCNH2
SCHEMBL20679525 0.85 KCNH2 (0.55) KCNH2
SCHEMBL4294484 0.84 KCNH2 (0.52) KCNH2
SCHEMBL706114 0.83 KCNH2 (0.61) KCNH2
SCHEMBL18544235 0.83 KCNH2 (0.50) 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