SCHEMBL8915816

SCHEMBL8915816

NC(=O)c1ccc2c(OC(=O)/C=C/C(=O)Oc3c[nH]c4cc(C(N)=O)ccc34)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
HTR1A P08908 4/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 4/20 0.42
HTR1B P28222 3/20 0.42
HTR2C P28335 2/20 0.42
HTR5A P47898 2/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1E P28566 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.42
HTR1D P28221 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8917348 1.00 PLG (0.43) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8915869 0.87 HTR1B (0.44) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8914633 0.84 SLC22A6 (0.59) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8915273 0.83 HTR1A (0.45) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8915441 0.83 HTR1D (0.45) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8917363 0.81 KMT2A (0.43) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8916684 0.81 SLC22A6 (0.44) PLGPLAUHTR1AHTR7HTR6
SCHEMBL28842060 0.81 SLC22A6 (0.41) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8915831 0.81 PARP10 (0.50) PLGPLAUHTR1AHTR7HTR6
SCHEMBL8915707 0.77 HTR1B (0.42) PLGPLAUHTR1AHTR7HTR6

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
US-5703112-A Method of preventing emesis using tetrahydrobenz CD!indole-6-carbonxamides ELI LILLY AND COMPANY (US) 1997-12-30 US disclosed