SCHEMBL6856813

SCHEMBL6856813

Cc1c(CC(=O)NC(C)C)c(-c2ccc(F)c(Cl)c2)nc2ccc(N3CCC4(CC3)OCCO4)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 11/20 0.40
ACACB O00763 1/20 0.37
CASP3 P42574 1/20 0.37
ENPP2 Q13822 3/20 0.36
FLT3 P36888 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL6854936 0.87 AVPR1B (0.41) AVPR1BACACBCASP3ENPP2
SCHEMBL6856891 0.85 AVPR1B (0.40) AVPR1BACACBENPP2KDM4EALDH1A1
SCHEMBL6857500 0.84 AVPR1B (0.41) AVPR1BACACBENPP2MAPT
SCHEMBL6857461 0.80 AVPR1B (0.44) AVPR1BACACB
SCHEMBL6855979 0.79 AVPR1B (0.39) AVPR1BKDM4E
SCHEMBL6856235 0.79 AVPR1B (0.39) AVPR1BKDM4ETDP1MAPT
SCHEMBL6856705 0.76 AVPR1B (0.58) AVPR1B
SCHEMBL6856801 0.76 HRH3 (0.43) AVPR1BACACB
SCHEMBL6855740 0.76 AVPR1B (0.51) AVPR1B
SCHEMBL6857432 0.75 AVPR1B (0.43) AVPR1BMEN1KMT2AMAPTSMN1; SMN2

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