SCHEMBL7725174

SCHEMBL7725174

COc1cccc(CCCN2CC[C@@H](CC[C@@H](O)c3ccnc4ccc(OC)cc34)[C@H](CCC(=O)O)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57

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
SCHEMBL7725177 1.00 KCNH2 (0.57) KCNH2
SCHEMBL7729711 0.98 KCNH2 (0.56) KCNH2
SCHEMBL7729714 0.98 KCNH2 (0.56) KCNH2
SCHEMBL7720772 0.96 KCNH2 (0.58) KCNH2
SCHEMBL7720767 0.96 KCNH2 (0.58) KCNH2
SCHEMBL7727812 0.95 KCNH2 (0.55) KCNH2
SCHEMBL7727815 0.95 KCNH2 (0.55) KCNH2
SCHEMBL7725529 0.94 KCNH2 (0.57) KCNH2
SCHEMBL7726943 0.94 KCNH2 (0.54) KCNH2
SCHEMBL7725534 0.94 KCNH2 (0.57) 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 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