SCHEMBL4596281

SCHEMBL4596281

[CH2]C1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
AQP1 P29972 1/20 0.34
PDK2 Q15119 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
CYP2A6 P11509 1/20 0.32
THRB P10828 1/20 0.31
GRM2 Q14416 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GUSB P08236 1/20 0.30

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
SCHEMBL6047915 0.87 ALDH1A1 (0.35) GABRA1GABRG2GABRB3AQP1NPC1
SCHEMBL4596522 0.87 PTGS1 (0.37) GABRA1GABRG2GABRB3AQP1NPC1
SCHEMBL4596283 0.82 HTR1A (0.44) GABRA1GABRG2GABRB3AQP1GRM2
SCHEMBL4596979 0.81 AQP1 (0.40) AQP1HTR2AHTR2CTHRBHTR1A
SCHEMBL4649843 0.81 HTR1A (0.40) AQP1NPC1TP53HPGDRAB9A
SCHEMBL4964386 0.81 AQP1 (0.42) GABRA1GABRG2GABRB3AQP1PDK2
SCHEMBL4230148 0.78 AQP1 (0.46) GABRA1GABRG2GABRB3AQP1HTR2A
SCHEMBL4230244 0.78 AQP1 (0.42) GABRA1GABRG2GABRB3AQP1PDK2
SCHEMBL4229958 0.76 AQP1 (0.40) GABRA1GABRG2GABRB3AQP1GRM2
SCHEMBL4596978 0.76 AQP1 (0.47) AQP1HTR2AHTR2C

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 6 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
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP 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