SCHEMBL7720859

SCHEMBL7720859

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4ccccc4OC)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.43
KCNH2 Q12809 5/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL7727122 0.98 CCR8 (0.45) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7721511 0.93 CCR8 (0.42) CCR8KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL7721507 0.93 CCR8 (0.42) CCR8KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL7729138 0.93 KCNH2 (0.44) CCR8KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL7725377 0.93 KCNH2 (0.47) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7724509 0.92 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7732083 0.92 KCNH2 (0.43) CCR8KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL7725482 0.92 KCNH2 (0.45) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7723728 0.92 KCNH2 (0.44) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7731645 0.91 CCR8 (0.44) CCR8KCNH2MTNR1AMTNR1B

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