SCHEMBL7726070

SCHEMBL7726070

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4nccs4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CCR8 P51685 2/20 0.39

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
SCHEMBL7726568 0.98 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7724643 0.94 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7724646 0.94 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7724085 0.91 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7724081 0.91 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7726888 0.91 KCNH2 (0.53) KCNH2
SCHEMBL7720917 0.90 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7727044 0.89 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7721010 0.89 KCNH2 (0.48) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7721091 0.89 KCNH2 (0.54) 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