SCHEMBL9874873

SCHEMBL9874873

NC(=Nc1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.67
HTR3B O95264 2/20 0.67
HTR3A P46098 2/20 0.67
HTR3D Q70Z44 2/20 0.67
HTR3C Q8WXA8 2/20 0.67
SLC22A2 O15244 1/20 0.67
SLC22A1 O15245 1/20 0.67
SLC22A3 O75751 1/20 0.67
PLAU P00749 1/20 0.67
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
THPO P40225 1/20 0.59
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL3779968 0.80 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL101969 0.79 GRIN2B (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL101968 0.79 GRIN2B (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL28630854 0.79 HTR3E (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13893055 0.79 GRIN2B (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL3244490 0.77 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23306696 0.74 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8223193 0.74 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8842618 0.74 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8842616 0.74 HTR3E (0.56) 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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed