SCHEMBL5604768

SCHEMBL5604768

COc1cc2c(c(-c3cc(Cl)ccc3OC)c1)OC(N(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
RECQL P46063 1/20 0.36
HTR6 P50406 2/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5605916 0.89 MAPT (0.35) HTR2CHTR6SLC6A4HTR2BALDH1A1
SCHEMBL4713089 0.84 HTR2C (0.40) HTR2CHTR2ARECQLHTR6SLC6A4
SCHEMBL4713088 0.83 HTR2C (0.40) HTR2CHTR2AHTR6SLC6A4HTR2B
SCHEMBL5605796 0.81 MAPK14 (0.40) ALDH1A1HPGDKDM4ENPSR1TDP1
SCHEMBL4230043 0.81 AQP1 (0.53) HTR2CHTR2AHTR6SLC6A4HTR2B
SCHEMBL4231133 0.79 AQP1 (0.56) HTR2CHTR2AHTR6SLC6A4HTR2B
SCHEMBL4231138 0.79 AQP1 (0.43) HTR2CHTR2AHTR6SLC6A4HTR2B
SCHEMBL5604772 0.79 LMNA (0.37) HTR2CHTR2AHTR6SLC6A4HTR2B
SCHEMBL5606037 0.78 DPP4 (0.37) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL4790775 0.77 AQP1 (0.35) HTR2CRECQLHTR6SLC6A4HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed