SCHEMBL7465494

SCHEMBL7465494

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccc4F)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.53

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
Hydrochloric Acid SCHEMBL7721268 0.99 KCNH2 (0.53) KCNH2
SCHEMBL7721041 0.98 KCNH2 (0.53) KCNH2
SCHEMBL7724918 0.95 KCNH2 (0.53) KCNH2
SCHEMBL7720992 0.94 KCNH2 (0.53) KCNH2
SCHEMBL7724456 0.93 KCNH2 (0.52) KCNH2
SCHEMBL7727455 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7721118 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7462927 0.92 CCR8 (0.54) KCNH2
SCHEMBL7726415 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7721263 0.92 KCNH2 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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