SCHEMBL6855696

SCHEMBL6855696

CC(C)(C)OC(=O)Cc1cc2cc(OCCCN3CCCCC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
AVPR1B P47901 5/20 0.43
TLR9 Q9NR96 3/20 0.42
TLR7 Q9NYK1 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATF4 P18848 1/20 0.41
KCNH2 Q12809 2/20 0.41
MAOB P27338 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CHEK2 O96017 1/20 0.39

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
SCHEMBL6856613 0.89 HRH3 (0.48) AXLHRH3AVPR1BTLR9TLR7
SCHEMBL6856671 0.89 AXL (0.48) AXLHRH3AVPR1BTLR9TLR7
SCHEMBL6855434 0.87 AVPR1B (0.55) AXLHRH3AVPR1B
SCHEMBL6857215 0.87 AVPR1B (0.55) AXLHRH3AVPR1B
SCHEMBL6855437 0.84 AVPR1B (0.49) AXLHRH3AVPR1BTLR9TLR7
SCHEMBL6856988 0.80 AVPR1B (0.53) HRH3AVPR1B
SCHEMBL6857032 0.80 AVPR1B (0.48) AXLHRH3AVPR1BATF4
SCHEMBL6857044 0.80 AVPR1B (0.48) AXLHRH3AVPR1BATF4
SCHEMBL6856772 0.79 MTNR1A (0.36) KDM4EALDH1A1
SCHEMBL6856809 0.78 MTNR1A (0.36)

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
WO-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed