SCHEMBL6605619

SCHEMBL6605619

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

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.85

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
SCHEMBL6610786 1.00 KCNH2 (0.85) KCNH2
SCHEMBL6610792 1.00 KCNH2 (0.85) KCNH2
Hydrochloric Acid SCHEMBL7721870 0.99 KCNH2 (0.83) KCNH2
Hydrochloric Acid SCHEMBL7721873 0.99 KCNH2 (0.83) KCNH2
Hydrochloric Acid SCHEMBL7721869 0.99 KCNH2 (0.83) KCNH2
SCHEMBL7725730 0.94 KCNH2 (0.83) KCNH2
SCHEMBL7725725 0.94 KCNH2 (0.83) KCNH2
SCHEMBL6705119 0.93 KCNH2 (0.73) KCNH2
SCHEMBL6705116 0.93 KCNH2 (0.73) KCNH2
SCHEMBL6705110 0.93 KCNH2 (0.73) 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 6 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 claimed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US claimed
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