SCHEMBL8931376

SCHEMBL8931376

CCCC(=O)Cc1ccc2c(c1)C(=O)NC2=O.Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.55
KMT2A Q03164 8/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.39
SNCA P37840 1/20 0.38
BACE1 P56817 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP3 P42574 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7144554 0.83 HTR1F (0.77) HTR1FKMT2AMEN1MAPTALDH1A1
SCHEMBL8931377 0.73 HTR1F (0.56) HTR1FKMT2AMEN1MAPTALDH1A1
SCHEMBL7141265 0.73 HTR1F (0.76) HTR1FKMT2AMEN1MAPTALDH1A1
SCHEMBL8598857 0.72 HTR1F (0.81) HTR1FKMT2AMEN1MAPTALDH1A1
SCHEMBL7143303 0.72 HTR1F (1.00) HTR1FKMT2AMEN1MAPTALDH1A1
Bromide SCHEMBL7138690 0.72 HTR1F (0.80) HTR1FKMT2AMEN1MAPTALDH1A1
SCHEMBL7144771 0.71 HTR1F (0.83) HTR1FKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL7138726 0.71 HTR1F (0.98) HTR1FKMT2AMEN1MAPTALDH1A1
SCHEMBL7146335 0.70 HTR1F (0.66) HTR1FKMT2AMEN1MAPTCTDSP1
SCHEMBL7141051 0.70 HTR1F (0.71) HTR1FKMT2AMEN1MAPTALDH1A1

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