SCHEMBL7727376

SCHEMBL7727376

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.47
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43

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
SCHEMBL7727825 0.96 KCNH2 (0.45) KCNH2MTNR1AMTNR1B
SCHEMBL7720546 0.93 KCNH2 (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL7720543 0.93 KCNH2 (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL7724714 0.92 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7730798 0.92 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7725190 0.92 KCNH2 (0.49) KCNH2MTNR1AMTNR1B
SCHEMBL7727632 0.92 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7728939 0.92 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7732013 0.91 KCNH2 (0.50) KCNH2MTNR1AMTNR1B
SCHEMBL7728229 0.91 KCNH2 (0.50) KCNH2MTNR1AMTNR1B

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