SCHEMBL7727455

SCHEMBL7727455

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccc4OC)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52

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
SCHEMBL7727303 0.98 KCNH2 (0.51) KCNH2
SCHEMBL7465494 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7721118 0.92 KCNH2 (0.52) KCNH2
SCHEMBL7462927 0.92 CCR8 (0.54) KCNH2
SCHEMBL7721263 0.92 KCNH2 (0.51) KCNH2
Hydrochloric Acid SCHEMBL7721268 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7726366 0.91 KCNH2 (0.54) KCNH2
SCHEMBL7727122 0.91 CCR8 (0.45) KCNH2
SCHEMBL7731645 0.90 CCR8 (0.44) KCNH2
SCHEMBL7731649 0.90 CCR8 (0.44) 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