SCHEMBL6606611

SCHEMBL6606611

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4ccccc4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.60

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
SCHEMBL7729157 0.96 KCNH2 (0.56) KCNH2
SCHEMBL7725404 0.96 KCNH2 (0.59) KCNH2
SCHEMBL7725735 0.95 KCNH2 (0.59) KCNH2
SCHEMBL7726916 0.95 KCNH2 (0.59) KCNH2
SCHEMBL7726599 0.94 KCNH2 (0.57) KCNH2
SCHEMBL7731006 0.93 KCNH2 (0.57) KCNH2
SCHEMBL7732412 0.93 KCNH2 (0.57) KCNH2
SCHEMBL7721433 0.93 KCNH2 (0.56) KCNH2
SCHEMBL7728159 0.93 KCNH2 (0.56) KCNH2
SCHEMBL7725738 0.93 KCNH2 (0.56) 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