SCHEMBL6856790

SCHEMBL6856790

CCCOCCN(C)CCCOc1ccc2nc(-c3ccc(F)c(OC)c3)c(CC(=O)NC(C)C)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.39
TLR7 Q9NYK1 4/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ATM Q13315 2/20 0.33
PTGES O14684 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL6855700 0.81 AVPR1B (0.49) AVPR1BHRH3ATM
SCHEMBL6856267 0.79 AVPR1B (0.46) AVPR1BHRH3
SCHEMBL6857409 0.79 AVPR1B (0.43) AVPR1B
SCHEMBL6857474 0.79 AVPR1B (0.45) AVPR1BHRH3
SCHEMBL6857383 0.78 AVPR1B (0.42) AVPR1B
SCHEMBL6856882 0.78 AVPR1B (0.52) AVPR1BHRH3
SCHEMBL6856761 0.76 AVPR1B (0.41) AVPR1B
SCHEMBL6856915 0.75 AVPR1B (0.40) AVPR1BTLR7
SCHEMBL6856256 0.74 AVPR1B (0.52) AVPR1B
SCHEMBL6857488 0.74 HRH3 (0.47) AVPR1BHRH3

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