SCHEMBL4595391

SCHEMBL4595391

CN(C(=O)O)C1Cc2cccc(-c3ccccc3Cl)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
HTR7 P34969 4/20 0.41
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A9 P48067 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
KIF11 P52732 1/20 0.34
PARP1 P09874 3/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL15759012 0.88 TDP1 (0.39) HTR1AHTR7ALDH1A1PARP1TSHR
SCHEMBL4596698 0.88 EDNRB (0.39) HTR1AHTR7S1PR4ALDH1A1MEN1
SCHEMBL15758703 0.87 MAPT (0.34) HTR1AHTR7S1PR4ALDH1A1MEN1
SCHEMBL4596574 0.86 ALDH1A1 (0.40) HTR7S1PR4ALDH1A1SMN1; SMN2SLC6A9
SCHEMBL4225937 0.86 HTR7 (0.43) HTR1AHTR7ALDH1A1MEN1KMT2A
SCHEMBL4596973 0.85 HTR1A (0.41) HTR1AHTR7ALDH1A1NPSR1SMN1; SMN2
SCHEMBL4595383 0.85 HTR7 (0.43) HTR1AHTR7ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4596667 0.85 AQP1 (0.43) HTR1AHTR7ALDH1A1MEN1KMT2A
SCHEMBL4230022 0.83 SMN1; SMN2 (0.35) KMT2ASMN1; SMN2LMNAPARP1
SCHEMBL4596754 0.83 HTR7 (0.43) HTR7ALDH1A1SLC6A9HSD17B10

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 4 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
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed