SCHEMBL6855434

SCHEMBL6855434

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.55
AXL P30530 1/20 0.48
ATM Q13315 2/20 0.46
HRH3 Q9Y5N1 3/20 0.45

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 1.00 AVPR1B (0.55) AVPR1BAXLATMHRH3
SCHEMBL6855437 0.94 AVPR1B (0.49) AVPR1BAXLATMHRH3
SCHEMBL6857032 0.93 AVPR1B (0.48) AVPR1BAXLATMHRH3
SCHEMBL6856988 0.93 AVPR1B (0.53) AVPR1BATMHRH3
SCHEMBL6857044 0.93 AVPR1B (0.48) AVPR1BAXLHRH3
SCHEMBL6856671 0.91 AXL (0.48) AVPR1BAXLHRH3
SCHEMBL6857168 0.91 AVPR1B (0.46) AVPR1BAXLHRH3
SCHEMBL6855700 0.90 AVPR1B (0.49) AVPR1BATMHRH3
SCHEMBL6857005 0.90 AVPR1B (0.55) AVPR1BAXLATM
SCHEMBL6856613 0.90 HRH3 (0.48) AVPR1BAXLHRH3

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