SCHEMBL6608071

SCHEMBL6608071

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cccs4)C[C@H]3CC(=O)O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.64

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
SCHEMBL6605290 1.00 KCNH2 (0.64) KCNH2
Hydrochloric Acid SCHEMBL7725726 0.99 KCNH2 (0.64) KCNH2
SCHEMBL7725938 0.97 KCNH2 (0.60) KCNH2
SCHEMBL7725309 0.94 KCNH2 (0.64) KCNH2
SCHEMBL7725304 0.94 KCNH2 (0.64) KCNH2
SCHEMBL6605966 0.92 KCNH2 (0.76) KCNH2
Hydrochloric Acid SCHEMBL7727211 0.91 KCNH2 (0.75) KCNH2
SCHEMBL7732451 0.90 KCNH2 (0.59) KCNH2
SCHEMBL7732453 0.90 KCNH2 (0.59) KCNH2
SCHEMBL3247355 0.90 KCNH2 (0.55) 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-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed