SCHEMBL6855740

SCHEMBL6855740

CC(=O)N1CCN(CCCOc2ccc3nc(-c4ccc(F)c(Cl)c4)c(CC(=O)NC(C)C)c(C)c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 12/20 0.51
HRH3 Q9Y5N1 4/20 0.42
AXL P30530 1/20 0.42
ATF4 P18848 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
THRB P10828 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
SCHEMBL6856705 0.93 AVPR1B (0.58) AVPR1BHRH3AXL
SCHEMBL6857472 0.91 AVPR1B (0.51) AVPR1BHRH3AXL
SCHEMBL6857265 0.88 AVPR1B (0.48) AVPR1BAXL
SCHEMBL6857266 0.86 AVPR1B (0.49) AVPR1BHRH3AXLHRH2HRH1
SCHEMBL6857432 0.86 AVPR1B (0.43) AVPR1BAXL
SCHEMBL6856889 0.83 AVPR1B (0.56) AVPR1B
SCHEMBL6857014 0.83 AVPR1B (0.72) AVPR1B
SCHEMBL6855434 0.80 AVPR1B (0.55) AVPR1BHRH3AXL
SCHEMBL6857215 0.80 AVPR1B (0.55) AVPR1BHRH3AXL
SCHEMBL6857032 0.78 AVPR1B (0.48) AVPR1BHRH3AXLATF4

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