SCHEMBL6857500

SCHEMBL6857500

Cc1c(CC(=O)NC(C)C)c(-c2ccc(F)c(Cl)c2)nc2ccc(N3CCC(N(C)C)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.41
ACACB O00763 2/20 0.41
NPY5R Q15761 1/20 0.39
SETD2 Q9BYW2 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MAPT P10636 1/20 0.37
AXL P30530 1/20 0.37
MELK Q14680 1/20 0.37
SLC9A1 P19634 1/20 0.36
NSD2 O96028 1/20 0.36
MCHR1 Q99705 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL6854936 0.88 AVPR1B (0.41) AVPR1BACACBMCHR1ENPP2
SCHEMBL6857013 0.87 AVPR1B (0.42) AVPR1BACACBNPY5RSETD2MELK
SCHEMBL6856891 0.86 AVPR1B (0.40) AVPR1BACACBMAPTAXLMCHR1
SCHEMBL6856813 0.84 AVPR1B (0.40) AVPR1BACACBMAPTENPP2
SCHEMBL6857461 0.81 AVPR1B (0.44) AVPR1BACACB
SCHEMBL6855979 0.80 AVPR1B (0.39) AVPR1B
SCHEMBL6856235 0.79 AVPR1B (0.39) AVPR1BMAPT
SCHEMBL6856801 0.79 HRH3 (0.43) AVPR1BACACB
SCHEMBL6857472 0.77 AVPR1B (0.51) AVPR1BAXL
SCHEMBL6857432 0.76 AVPR1B (0.43) AVPR1BMAPTAXL

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