SCHEMBL6610221

SCHEMBL6610221

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.40
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL6605594 0.96 KCNH2 (0.43) KCNH2
SCHEMBL7730611 0.92 KCNH2 (0.42) KCNH2
SCHEMBL7733411 0.90 KCNH2 (0.51) KCNH2
SCHEMBL7727292 0.88 KCNH2 (0.46) KCNH2
SCHEMBL6607110 0.88 KCNH2 (0.41) KCNH2
SCHEMBL6605455 0.88 CCR3 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL6606495 0.88 KCNH2 (0.41) KCNH2MTNR1AMTNR1B
SCHEMBL6604185 0.87 KCNH2 (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL6607213 0.87 KCNH2 (0.46) KCNH2
SCHEMBL6605983 0.87 KCNH2 (0.54) 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