SCHEMBL8931377

SCHEMBL8931377

CC(=O)CCCN1C(=O)c2ccccc2C1=O.Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.56
ALDH1A1 P00352 9/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL7146335 0.88 HTR1F (0.66) HTR1FALDH1A1HPGDKDM4EMAPT
SCHEMBL7144554 0.83 HTR1F (0.77) HTR1FALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8931376 0.73 HTR1F (0.55) HTR1FALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7141265 0.73 HTR1F (0.76) HTR1FALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7143303 0.72 HTR1F (1.00) HTR1FALDH1A1HPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL7138726 0.72 HTR1F (0.98) HTR1FALDH1A1HPGDMAPTKMT2A
SCHEMBL7140234 0.71 HTR1F (0.77) HTR1FALDH1A1MAPTKMT2AMEN1
SCHEMBL7141051 0.71 HTR1F (0.71) HTR1FALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL7140335 0.70 HTR1F (0.76) HTR1FALDH1A1MAPTKMT2AMEN1
SCHEMBL7144771 0.70 HTR1F (0.83) HTR1FALDH1A1HPGDMAPTKMT2A

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-1997013512-A1 N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1997-04-17 WO disclosed