SCHEMBL4596639

SCHEMBL4596639

[CH2]C1Cc2cc(Cl)cc(OC)c2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.35
MAP3K14 Q99558 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ATM Q13315 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ERN1 O75460 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4596642 0.82 ALDH1A1 (0.43) EZH2MAP3K14ATMALDH1A1GAA
SCHEMBL4597088 0.82 HTR2A (0.47) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL15758803 0.81 ERN1 (0.33) HTR2AHTR2CERN1ALDH1A1GAA
SCHEMBL4597001 0.81 HTR7 (0.39) HTR2AHTR2CHTR3A
SCHEMBL4596512 0.79 CYP1A1 (0.40) HTR2AHTR2CHTTALDH1A1GAA
SCHEMBL4768061 0.78 PRKAB2 (0.37) HTR2AHTR2CHTTALDH1A1GAA
SCHEMBL4220760 0.77 PRKAB2 (0.48) EZH2MAP3K14HTR2AHTR2CATM
SCHEMBL4713088 0.73 HTR2C (0.40) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4606789 0.72 AQP1 (0.47) HTR2AHTR2CHTR3EHTR3BHTR3A
SCHEMBL4596119 0.71 HTR2A (0.41) HTR2AHTR2CHTR3EHTR3BHTR3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed