SCHEMBL7727043

SCHEMBL7727043

COc1cccc(CCCN2CC[C@@H](CCCc3ccnc4ccc(OC)cc34)[C@@H](CC(=O)O)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.48
KCNH2 Q12809 6/20 0.46
SIGMAR1 Q99720 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL7721277 0.98 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725846 0.95 CCR8 (0.53) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725441 0.95 CCR8 (0.47) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7721093 0.94 CCR8 (0.46) CCR8KCNH2
SCHEMBL7720553 0.94 KCNH2 (0.47) CCR8KCNH2
SCHEMBL7726246 0.93 CCR8 (0.48) CCR8KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL7726249 0.93 CCR8 (0.48) CCR8KCNH2SIGMAR1MTNR1AMTNR1B
SCHEMBL7724509 0.93 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725753 0.93 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7721306 0.93 KCNH2 (0.46) CCR8KCNH2SIGMAR1

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