SCHEMBL7723984

SCHEMBL7723984

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

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55

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
SCHEMBL7731217 0.96 KCNH2 (0.57) KCNH2
SCHEMBL7728114 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7725459 0.92 KCNH2 (0.53) KCNH2
SCHEMBL7727137 0.91 KCNH2 (0.53) KCNH2
SCHEMBL7725934 0.91 KCNH2 (0.55) KCNH2
SCHEMBL7726080 0.91 KCNH2 (0.53) KCNH2
SCHEMBL7732313 0.91 KCNH2 (0.53) KCNH2
SCHEMBL7731222 0.91 KCNH2 (0.56) KCNH2
SCHEMBL7726355 0.91 KCNH2 (0.52) KCNH2
SCHEMBL7727709 0.91 KCNH2 (0.52) 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