SCHEMBL5258498

SCHEMBL5258498

COc1ccc2nccc([C@H](O)CN3CCC(NCc4ccc5c(c4)NC(=O)CCS5)CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.64
SLC2A1 P11166 10/20 0.58
MCHR1 Q99705 1/20 0.40

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
SCHEMBL5258502 1.00 KCNH2 (0.64) KCNH2SLC2A1MCHR1
SCHEMBL5255393 1.00 KCNH2 (0.64) KCNH2SLC2A1MCHR1
SCHEMBL5257022 0.93 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL5255571 0.93 KCNH2 (0.65) KCNH2SLC2A1
SCHEMBL14434168 0.92 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL5254171 0.87 KCNH2 (0.65) KCNH2SLC2A1MCHR1
SCHEMBL14519829 0.87 KCNH2 (0.65) KCNH2SLC2A1MCHR1
SCHEMBL5255397 0.86 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL5309364 0.85 KCNH2 (0.61) KCNH2SLC2A1
SCHEMBL5251668 0.85 KCNH2 (0.74) KCNH2SLC2A1

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-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP claimed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US claimed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-7205408-B2 Quinolines and nitrogenated derivative thereof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM, P.L.C. (GB) 2007-04-17 US disclosed