SCHEMBL8916401

SCHEMBL8916401

NC(=O)c1ccc2c(OC(=O)CC(O)(CC(=O)O)C(=O)O)c[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
HTR6 P50406 3/20 0.37
HTR1B P28222 2/20 0.37
HTR2C P28335 2/20 0.37
HTR5A P47898 2/20 0.37
CYP1A2 P05177 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
HTR1D P28221 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR1E P28566 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4763400 0.81 SLC22A6 (0.52) KMT2AMEN1TSHRLMNATDP1
SCHEMBL8915273 0.81 HTR1A (0.45) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL8915441 0.81 HTR1D (0.45) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL8917363 0.78 KMT2A (0.43) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL8915869 0.76 HTR1B (0.44) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL3067702 0.75 GUSB (0.36) HTR6L3MBTL1
SCHEMBL8914633 0.74 SLC22A6 (0.59) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL27729499 0.74 PARP10 (0.46) CYP1A2HSD17B10KMT2AMEN1TSHR
SCHEMBL8915831 0.73 PARP10 (0.50) HTR1AHTR7HTR6HTR1BHTR2C
SCHEMBL8915816 0.73 PLG (0.43) HTR1AHTR7HTR6HTR1BHTR2C

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