SCHEMBL7721619

SCHEMBL7721619

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.46
KCNH2 Q12809 5/20 0.46
SLC2A1 P11166 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 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
SCHEMBL7725753 0.98 CCR8 (0.48) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7720833 0.96 KCNH2 (0.46) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7724509 0.96 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7727278 0.95 KCNH2 (0.47) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7730626 0.95 KCNH2 (0.47) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7725562 0.95 CCR8 (0.45) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7731711 0.95 CCR8 (0.44) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7726569 0.94 CCR8 (0.47) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7725846 0.94 CCR8 (0.53) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7727045 0.94 KCNH2 (0.44) CCR8KCNH2SLC2A1

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