SCHEMBL6856891

SCHEMBL6856891

Cc1c(CC(=O)NC(C)C)c(-c2ccc(F)c(Cl)c2)nc2ccc(N3CCCN(C)CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.40
MAPK14 Q16539 1/20 0.38
AXL P30530 2/20 0.38
EGFR P00533 2/20 0.38
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ENPP2 Q13822 1/20 0.37
FGFR1 P11362 1/20 0.37
MCHR1 Q99705 1/20 0.37
SOS1 Q07889 1/20 0.37
ACACB O00763 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 0.90 AVPR1B (0.41) AVPR1BENPP2MCHR1ACACB
SCHEMBL6856269 0.86 AVPR1B (0.40) AVPR1BAXLEGFRF10KDM4E
SCHEMBL6857500 0.86 AVPR1B (0.41) AVPR1BAXLMAPTENPP2MCHR1
SCHEMBL6856813 0.85 AVPR1B (0.40) AVPR1BKDM4EALDH1A1MAPTENPP2
SCHEMBL6855979 0.81 AVPR1B (0.39) AVPR1BKDM4E
SCHEMBL6857461 0.81 AVPR1B (0.44) AVPR1BACACB
SCHEMBL6856235 0.80 AVPR1B (0.39) AVPR1BKDM4EMAPT
SCHEMBL16445234 0.79 AVPR1B (0.49) AVPR1BSOS1
SCHEMBL6856705 0.78 AVPR1B (0.58) AVPR1BAXL
SCHEMBL6857414 0.78 AVPR1B (0.38) AVPR1BACACB

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