SCHEMBL6856613

SCHEMBL6856613

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AXL P30530 1/20 0.47
TLR9 Q9NR96 3/20 0.46
TLR7 Q9NYK1 2/20 0.46
KCNH2 Q12809 1/20 0.45
ATF4 P18848 1/20 0.44
AVPR1B P47901 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 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
SCHEMBL6857215 0.90 AVPR1B (0.55) HRH3AXLAVPR1B
SCHEMBL6855434 0.90 AVPR1B (0.55) HRH3AXLAVPR1B
SCHEMBL6855696 0.89 AXL (0.45) HRH3KDM4EALDH1A1SMN1; SMN2AXL
SCHEMBL6856671 0.88 AXL (0.48) HRH3KDM4EALDH1A1SMN1; SMN2AXL
SCHEMBL6855437 0.87 AVPR1B (0.49) HRH3AXLTLR9TLR7ATF4
SCHEMBL6857032 0.83 AVPR1B (0.48) HRH3AXLATF4AVPR1B
SCHEMBL6856988 0.83 AVPR1B (0.53) HRH3AVPR1B
SCHEMBL6857044 0.82 AVPR1B (0.48) HRH3AXLATF4AVPR1B
SCHEMBL6857168 0.80 AVPR1B (0.46) HRH3AXLATF4AVPR1B
SCHEMBL6856705 0.79 AVPR1B (0.58) HRH3AXLAVPR1B

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