SCHEMBL7727714

SCHEMBL7727714

COc1ccc(CCCN2CCC(CC[C@H](O)c3ccnc4ccc(OC)cc34)C(CCC(=O)O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.57
SLC2A1 P11166 1/20 0.54

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
SCHEMBL7727712 1.00 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL7725652 0.98 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL7725648 0.98 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL7726550 0.96 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL7726554 0.96 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL7720767 0.96 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL7720772 0.96 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL7728503 0.96 KCNH2 (0.54) KCNH2
SCHEMBL7728498 0.96 KCNH2 (0.54) KCNH2
SCHEMBL7729116 0.96 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