SCHEMBL14404368

SCHEMBL14404368

CC(C)N(N)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
PNMT P11086 2/20 0.44
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
RORC P51449 5/20 0.43
AOC3 Q16853 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PARP1 P09874 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 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
SCHEMBL10694837 0.79 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9795668 0.79 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20893254 0.78 MAPT (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28305318 0.77 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL6701033 0.75 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27736294 0.74 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22319800 0.73 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7372396 0.73 AOC3 (0.40) MAPTTAAR1AOC3ALDH1A1
SCHEMBL5677345 0.72 MAPT (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2767320 0.72 HTR3E (0.49) 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
WO-2007116314-A1 N-PHENYL-1,1,1-TRIFLUOROMETHANESULFONAMIDE HYDRAZONE DERIVATIVE COMPOUNDS AND THEIR USAGE IN CONTROLLING PARASITES SCHERING-PLOUGH LTD. (US) 2007-10-18 WO disclosed