SCHEMBL6856705

SCHEMBL6856705

Cc1c(CC(=O)NC(C)C)c(-c2ccc(F)c(Cl)c2)nc2ccc(OCCCN3CCCCC3)cc12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.58
AXL P30530 1/20 0.49
ATM Q13315 1/20 0.45
ESR1 P03372 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44

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
SCHEMBL6857472 0.93 AVPR1B (0.51) AVPR1BAXLHRH3
SCHEMBL6855740 0.93 AVPR1B (0.51) AVPR1BAXLHRH3
SCHEMBL6857265 0.91 AVPR1B (0.48) AVPR1BAXLESR1
SCHEMBL6857266 0.91 AVPR1B (0.49) AVPR1BAXLHRH3
SCHEMBL6856889 0.90 AVPR1B (0.56) AVPR1BATMESR1
SCHEMBL6857014 0.90 AVPR1B (0.72) AVPR1B
SCHEMBL6857432 0.89 AVPR1B (0.43) AVPR1BAXL
SCHEMBL6857215 0.87 AVPR1B (0.55) AVPR1BAXLATMHRH3
SCHEMBL6855434 0.87 AVPR1B (0.55) AVPR1BAXLATMHRH3
SCHEMBL3121201 0.84 AVPR1B (0.82) 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