SCHEMBL6856256

SCHEMBL6856256

COc1cc(-c2nc3ccc(-c4cc(Cl)cc(CN(C)C)c4)cc3cc2CC(=O)NC(C)C)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.52
MELK Q14680 2/20 0.38
FGFR4 P22455 1/20 0.35

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
SCHEMBL6857404 0.87 AVPR1B (0.54) AVPR1B
SCHEMBL6856660 0.85 AVPR1B (0.51) AVPR1B
SCHEMBL6857409 0.81 AVPR1B (0.43) AVPR1B
SCHEMBL6857383 0.81 AVPR1B (0.42) AVPR1B
SCHEMBL16423826 0.79 AVPR1B (0.69) AVPR1B
SCHEMBL16424335 0.78 AVPR1B (0.67) AVPR1B
SCHEMBL6856790 0.74 AVPR1B (0.39) AVPR1B
SCHEMBL6856915 0.74 AVPR1B (0.40) AVPR1B
SCHEMBL6857488 0.73 HRH3 (0.47) AVPR1B
SCHEMBL6855700 0.73 AVPR1B (0.49) AVPR1B

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