SCHEMBL4597571

SCHEMBL4597571

[CH2]C1Cc2cc(-c3cccc(Cl)c3)cc(F)c2O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
TDP2 O95551 2/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
MAOB P27338 2/20 0.33
ALOX5 P09917 1/20 0.33
GRM2 Q14416 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
BACE1 P56817 2/20 0.32
F2R P25116 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GRM5 P41594 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
SCHEMBL4595105 0.86 TAAR1 (0.36) PGRPARP10PARP11GRM2TAAR1
SCHEMBL5583552 0.85 AHR (0.33) TDP2
SCHEMBL4597572 0.84 GRM2 (0.40) PGRTDP2PARP10PARP11MAOB
SCHEMBL4595474 0.84 PARP10 (0.34) PARP10PARP11
SCHEMBL4595544 0.81 CYP1A1 (0.40) MAOBBACE1HTR1A
SCHEMBL4220462 0.81 AQP1 (0.51) PGRMAOBGRM2TAAR1F2R
SCHEMBL4595401 0.80 NPC1 (0.36) PGRTDP2PARP10PARP11MAOB
SCHEMBL4596968 0.79 KDM1A (0.36)
SCHEMBL4706707 0.78 DHODH (0.36) MAOBGRM2
SCHEMBL4597245 0.76 FFAR4 (0.31)

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 5 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
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed