SCHEMBL6605600

SCHEMBL6605600

COc1ccc2nccc(C(F)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.86

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
SCHEMBL6605607 1.00 KCNH2 (0.86) KCNH2
SCHEMBL6605602 1.00 KCNH2 (0.86) KCNH2
Hydrochloric Acid SCHEMBL7720365 0.99 KCNH2 (0.85) KCNH2
Hydrochloric Acid SCHEMBL7720364 0.99 KCNH2 (0.85) KCNH2
Hydrochloric Acid SCHEMBL7720368 0.99 KCNH2 (0.85) KCNH2
SCHEMBL7725080 0.96 KCNH2 (0.79) KCNH2
SCHEMBL7725084 0.96 KCNH2 (0.79) KCNH2
SCHEMBL7725079 0.96 KCNH2 (0.79) KCNH2
SCHEMBL6661376 0.92 KCNH2 (0.87) KCNH2
SCHEMBL5854175 0.92 KCNH2 (1.00) 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