SCHEMBL13478990

SCHEMBL13478990

O=c1ccc2ccc(F)c3c2n1CC3CN1CCC(NCc2cc3c(cn2)OCCO3)[C@H](O)C1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.65

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
SCHEMBL3146447 1.00 KCNH2 (0.65) KCNH2
Hydrochloric Acid SCHEMBL4554687 0.99 KCNH2 (0.64) KCNH2
Hydrochloric Acid SCHEMBL3223894 0.99 KCNH2 (0.64) KCNH2
SCHEMBL3225935 0.95 KCNH2 (0.58) KCNH2
SCHEMBL3232107 0.95 KCNH2 (0.58) KCNH2
Hydrochloric Acid SCHEMBL3230694 0.94 KCNH2 (0.57) KCNH2
Hydrochloric Acid SCHEMBL3224663 0.94 KCNH2 (0.57) KCNH2
SCHEMBL3154009 0.93 KCNH2 (0.59) KCNH2
Hydrochloric Acid SCHEMBL3217963 0.92 KCNH2 (0.58) KCNH2
SCHEMBL3149659 0.91 KCNH2 (0.53) 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
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed