SCHEMBL7721277

SCHEMBL7721277

COc1cccc(CCCCN2CC[C@@H](CCCc3ccnc4ccc(OC)cc34)[C@@H](CC(=O)O)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.46
KCNH2 Q12809 5/20 0.46
HTR1A P08908 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL7727043 0.98 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7724509 0.95 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7721306 0.95 KCNH2 (0.46) CCR8KCNH2
SCHEMBL7726222 0.94 CCR8 (0.45) CCR8KCNH2HTR1A
SCHEMBL7726903 0.94 KCNH2 (0.47) CCR8KCNH2
SCHEMBL7726078 0.93 CCR8 (0.46) CCR8KCNH2HTR1AMTNR1AMTNR1B
SCHEMBL7726081 0.93 CCR8 (0.46) CCR8KCNH2HTR1AMTNR1AMTNR1B
SCHEMBL7721619 0.93 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725846 0.93 CCR8 (0.53) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725441 0.93 CCR8 (0.47) 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