SCHEMBL6857032

SCHEMBL6857032

CC(C)NC(=O)Cc1cc2cc(OCCCN3CCC(F)CC3)ccc2nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.48
HRH3 Q9Y5N1 5/20 0.44
ATF4 P18848 1/20 0.42
HTR2A P28223 1/20 0.41
AXL P30530 1/20 0.41
ATM Q13315 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
SCHEMBL6857044 0.95 AVPR1B (0.48) AVPR1BHRH3ATF4HTR2AAXL
SCHEMBL6857215 0.93 AVPR1B (0.55) AVPR1BHRH3AXLATM
SCHEMBL6855434 0.93 AVPR1B (0.55) AVPR1BHRH3AXLATM
SCHEMBL6856988 0.93 AVPR1B (0.53) AVPR1BHRH3ATM
SCHEMBL6856267 0.90 AVPR1B (0.46) AVPR1BHRH3HTR2A
SCHEMBL6857155 0.90 AVPR1B (0.56) AVPR1B
SCHEMBL6857168 0.90 AVPR1B (0.46) AVPR1BHRH3ATF4AXL
SCHEMBL6857472 0.87 AVPR1B (0.51) AVPR1BHRH3AXL
SCHEMBL6855437 0.87 AVPR1B (0.49) AVPR1BHRH3ATF4AXLATM
SCHEMBL6856761 0.86 AVPR1B (0.41) AVPR1BAXL

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