SCHEMBL7725942

SCHEMBL7725942

COc1ccc(CCCCN2CC[C@@H](CCCc3ccnc4ccc(OC)cc34)[C@@H](CCC(=O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.46
KCNH2 Q12809 6/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
SLC2A1 P11166 1/20 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
SCHEMBL7725945 1.00 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7721494 0.98 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7721496 0.98 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7725843 0.96 KCNH2 (0.45) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7725841 0.96 KCNH2 (0.45) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7725339 0.96 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725336 0.96 CCR8 (0.50) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7727769 0.96 KCNH2 (0.46) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7725604 0.96 KCNH2 (0.47) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL7725601 0.96 KCNH2 (0.47) CCR8KCNH2MTNR1AMTNR1BSLC2A1

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