SCHEMBL6606554

SCHEMBL6606554

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ncccc4F)C[C@@H]3CO)c2c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.41
CCR8 P51685 1/20 0.37

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
SCHEMBL6604088 0.96 KCNH2 (0.44) KCNH2
SCHEMBL7731079 0.92 KCNH2 (0.44) KCNH2
SCHEMBL6607110 0.91 KCNH2 (0.41) KCNH2CCR8
SCHEMBL7727615 0.90 KCNH2 (0.52) KCNH2
SCHEMBL6604527 0.90 KCNH2 (0.44) KCNH2CCR8
SCHEMBL6607553 0.88 KCNH2 (0.43) KCNH2CCR8
SCHEMBL7728469 0.88 KCNH2 (0.47) KCNH2
SCHEMBL6606495 0.88 KCNH2 (0.41) KCNH2
SCHEMBL6605455 0.88 CCR3 (0.44) KCNH2
SCHEMBL6603923 0.88 KCNH2 (0.45) KCNH2CCR8

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 3 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
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed