SCHEMBL4649843

SCHEMBL4649843

[CH2]C1Cc2cccc(-c3ccccc3Cl)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.40
HTR7 P34969 4/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPRC P08575 1/20 0.33
CYP2A6 P11509 1/20 0.33
AQP1 P29972 1/20 0.33
MAPK14 Q16539 1/20 0.33
DPP4 P27487 1/20 0.33
THRB P10828 1/20 0.32
GRM2 Q14416 1/20 0.32
GUSB P08236 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32

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
SCHEMBL4596979 0.87 AQP1 (0.40) HTR1AHTR7HTR2AHTR2CAQP1
SCHEMBL4711112 0.85 HTR2A (0.36) HTR1AHTR7HTR2AHTR2CAQP1
SCHEMBL4595291 0.85 AQP1 (0.44) HTR1AHTR7HTR2AHTR2CNPC1
SCHEMBL4596281 0.81 GABRA1 (0.34) HTR1AHTR7HTR2AHTR2CNPC1
SCHEMBL4595494 0.81 AQP1 (0.36) HTR1AHTR7AQP1THRBPRKAB2
SCHEMBL4765139 0.81 AQP1 (0.49) HTR1AHTR7HTR2AHTR2CAQP1
SCHEMBL4596402 0.81 PLA2G7 (0.35) HTR1AHTR7HTR2AHTR2CHPGD
SCHEMBL6047939 0.81 HTR2A (0.40) HTR1AHTR7HTR2AHTR2CNPC1
SCHEMBL4649844 0.81 PARP1 (0.48) HTR1AHTR7HTR2AHTR2CGRM2
SCHEMBL5583710 0.80 CYP2A6 (0.39) HTR1AHTR7HTR2AHTR2CNPC1

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