SCHEMBL7725328

SCHEMBL7725328

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4sccc4C)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
CCR8 P51685 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40

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
SCHEMBL7720917 0.98 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7720840 0.94 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7720837 0.94 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7725695 0.92 KCNH2 (0.44) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7725959 0.92 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7725954 0.92 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7721384 0.91 KCNH2 (0.53) KCNH2
SCHEMBL7727044 0.90 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726568 0.90 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726813 0.89 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