SCHEMBL5207423

SCHEMBL5207423

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

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.54

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
SCHEMBL5207412 1.00 KCNH2 (0.54) KCNH2
SCHEMBL5207416 1.00 KCNH2 (0.54) KCNH2
SCHEMBL446282 0.88 KCNH2 (0.57) KCNH2
SCHEMBL446283 0.88 KCNH2 (0.57) KCNH2
SCHEMBL7725844 0.85 MTNR1A (0.44) KCNH2
SCHEMBL5207068 0.85 MTNR1A (0.44) KCNH2
SCHEMBL31191746 0.81 SLC2A1 (0.52) KCNH2
SCHEMBL6820330 0.81 SLC2A1 (0.52) KCNH2
SCHEMBL5185393 0.79 KDM4E (0.48) KCNH2
SCHEMBL6969141 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484328-B1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents AVENTIS PHARMA SA (FR) 2007-05-02 EP disclosed
EP-1484328-A1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents Aventis Pharma S.A. (FR) 2004-12-08 EP disclosed
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