SCHEMBL6605983

SCHEMBL6605983

COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(CCCSc4c(F)cc(F)c(F)c4F)C[C@@H]3CO)c2c1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 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
SCHEMBL6605987 1.00 KCNH2 (0.54) KCNH2
SCHEMBL6605979 1.00 KCNH2 (0.54) KCNH2
SCHEMBL6605246 0.96 KCNH2 (0.58) KCNH2
SCHEMBL6605249 0.96 KCNH2 (0.58) KCNH2
SCHEMBL6605247 0.96 KCNH2 (0.58) KCNH2
SCHEMBL6607213 0.93 KCNH2 (0.46) KCNH2
SCHEMBL6607209 0.93 KCNH2 (0.46) KCNH2
SCHEMBL6607215 0.93 KCNH2 (0.46) KCNH2
SCHEMBL7730429 0.92 KCNH2 (0.56) KCNH2
SCHEMBL7730435 0.92 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 2 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
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed