SCHEMBL6855437

SCHEMBL6855437

C[C@H](CO)NC(=O)Cc1cc2cc(OCCCN3CCCCC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 10/20 0.49
AXL P30530 1/20 0.45
HRH3 Q9Y5N1 3/20 0.42
ATM Q13315 2/20 0.42
ATF4 P18848 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ESR1 P03372 1/20 0.40

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
SCHEMBL6855434 0.94 AVPR1B (0.55) AVPR1BAXLHRH3ATM
SCHEMBL6857215 0.94 AVPR1B (0.55) AVPR1BAXLHRH3ATM
SCHEMBL6856671 0.88 AXL (0.48) AVPR1BAXLHRH3ATF4PDE3B
SCHEMBL6856988 0.87 AVPR1B (0.53) AVPR1BHRH3ATM
SCHEMBL6857032 0.87 AVPR1B (0.48) AVPR1BAXLHRH3ATMATF4
SCHEMBL6856613 0.87 HRH3 (0.48) AVPR1BAXLHRH3ATF4TLR9
SCHEMBL6857044 0.87 AVPR1B (0.48) AVPR1BAXLHRH3ATF4
SCHEMBL6857168 0.85 AVPR1B (0.46) AVPR1BAXLHRH3ATF4PDE3B
SCHEMBL6855696 0.84 AXL (0.45) AVPR1BAXLHRH3ATF4PDE3B
SCHEMBL6857005 0.84 AVPR1B (0.55) AVPR1BAXLATM

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