SCHEMBL7724264

SCHEMBL7724264

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4c(Cl)cccc4Cl)C[C@@H]3CCC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
CCR8 P51685 1/20 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
SCHEMBL7724267 1.00 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7720954 0.98 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7720953 0.98 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7725728 0.94 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7725724 0.94 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7727256 0.94 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7720387 0.91 KCNH2 (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL7730331 0.91 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7730336 0.91 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7720384 0.91 KCNH2 (0.47) 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