SCHEMBL6605966

SCHEMBL6605966

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

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.76

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
Hydrochloric Acid SCHEMBL7727211 0.99 KCNH2 (0.75) KCNH2
SCHEMBL7727939 0.96 KCNH2 (0.71) KCNH2
SCHEMBL6608071 0.92 KCNH2 (0.64) KCNH2
SCHEMBL6605290 0.92 KCNH2 (0.64) KCNH2
Hydrochloric Acid SCHEMBL7725726 0.91 KCNH2 (0.64) KCNH2
SCHEMBL7725304 0.91 KCNH2 (0.64) KCNH2
SCHEMBL7725309 0.91 KCNH2 (0.64) KCNH2
SCHEMBL3239693 0.91 KCNH2 (0.67) KCNH2
SCHEMBL5308649 0.91 KCNH2 (0.67) KCNH2
SCHEMBL7727141 0.89 KCNH2 (0.61) 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 4 patents. 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
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed