SCHEMBL7731002

SCHEMBL7731002

COc1ccc2nccc([C@@H](O)CCC3CCN(CCCCc4ccccc4)CC3CCC(=O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
SLC2A1 P11166 1/20 0.51

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
SCHEMBL7731000 1.00 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL7720772 0.98 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL7720767 0.98 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL7725652 0.96 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL7725648 0.96 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL7729714 0.96 KCNH2 (0.56) KCNH2
SCHEMBL7729711 0.96 KCNH2 (0.56) KCNH2
SCHEMBL7733170 0.95 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL7733174 0.95 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL7727357 0.94 KCNH2 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed