SCHEMBL6856671

SCHEMBL6856671

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.48
AVPR1B P47901 9/20 0.46
HRH3 Q9Y5N1 3/20 0.44
ATF4 P18848 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 2/20 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
SCHEMBL6857215 0.91 AVPR1B (0.55) AXLAVPR1BHRH3
SCHEMBL6855434 0.91 AVPR1B (0.55) AXLAVPR1BHRH3
SCHEMBL6855696 0.89 AXL (0.45) AXLAVPR1BHRH3ATF4PDE3B
SCHEMBL6856613 0.88 HRH3 (0.48) AXLAVPR1BHRH3ATF4TLR9
SCHEMBL6855437 0.88 AVPR1B (0.49) AXLAVPR1BHRH3ATF4PDE3B
SCHEMBL6857032 0.84 AVPR1B (0.48) AXLAVPR1BHRH3ATF4
SCHEMBL6856988 0.84 AVPR1B (0.53) AVPR1BHRH3
SCHEMBL6857044 0.84 AVPR1B (0.48) AXLAVPR1BHRH3ATF4
SCHEMBL6857005 0.82 AVPR1B (0.55) AXLAVPR1BKCNH2
SCHEMBL6857168 0.82 AVPR1B (0.46) AXLAVPR1BHRH3ATF4PDE3B

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