SCHEMBL9028709

SCHEMBL9028709

O=C(O)Oc1cc2cc(N3CCNCC3)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR5A P47898 1/20 0.44
HTR1A P08908 4/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB1 P08588 3/20 0.39
ABL1 P00519 1/20 0.39
MMP12 P39900 1/20 0.39
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
TP53 P04637 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
SCHEMBL1406381 0.89 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6022841 0.83
SCHEMBL1889871 0.80 PIM1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL15206544 0.79 PIM1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16354223 0.78 HPGD (0.48) USP2ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL29449945 0.77 SLC6A2 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1322886 0.77 SLC6A2 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Chloromethane SCHEMBL15205595 0.77 PIM1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28275515 0.76 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13956071 0.76 KDM4E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-0738722-A1 5-Amino-benzofuran-2-carboxylic acid derivatives MERCK PATENT GmbH (DE) 1996-10-23 EP claimed