SCHEMBL7728800

SCHEMBL7728800

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccc(C(F)(F)F)cc4)C[C@@H]3CCC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.45
KCNH2 Q12809 7/20 0.43
SLC2A1 P11166 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
SCHEMBL7728806 1.00 CCR8 (0.45) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7725900 0.98 KCNH2 (0.44) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7725903 0.98 KCNH2 (0.44) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7732100 0.94 CCR8 (0.45) CCR8KCNH2SLC2A1
SCHEMBL7721494 0.94 CCR8 (0.48) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7721496 0.94 CCR8 (0.48) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7728225 0.93 KCNH2 (0.46) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7728219 0.93 KCNH2 (0.46) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7729671 0.93 CCR8 (0.47) CCR8KCNH2SLC2A1MTNR1AMTNR1B
SCHEMBL7729667 0.93 CCR8 (0.47) CCR8KCNH2SLC2A1MTNR1AMTNR1B

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