SCHEMBL4597503

SCHEMBL4597503

[CH2]C1Cc2cc(-c3ccccc3)cc(-c3ccc(F)cc3F)c2O1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.35
TDP2 O95551 1/20 0.34
HSD11B1 P28845 2/20 0.33
ADORA1 P30542 2/20 0.32
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AQP1 P29972 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
GRM2 Q14416 3/20 0.31
HTR2A P28223 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
DHODH Q02127 2/20 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
SCHEMBL4596422 0.88 SLC6A9 (0.33) MAPTSMN1; SMN2HTR2A
SCHEMBL4608664 0.86 GPR84 (0.35) MAOBMAPTHTR2A
SCHEMBL4597504 0.85 PARP1 (0.38) MAOBTDP2HSD11B1ADORA1ADORA2A
SCHEMBL4596405 0.85 HTR1A (0.36) MAOBAQP1PDE4BGRM2
SCHEMBL4713237 0.84 AQP1 (0.42) MAOBAQP1GRM2HTR2APDE3B
SCHEMBL4234539 0.82 AQP1 (0.51) MAOBTDP2ADORA1ADORA2AAQP1
SCHEMBL4220005 0.81 AQP1 (0.42) MAOBTDP2ADORA1ADORA2AAQP1
SCHEMBL4712016 0.81 AQP1 (0.40) MAOBAQP1GRM2HTR2A
SCHEMBL4596867 0.80 PRKAB2 (0.39) MAOBTDP2ALDH1A1MAPTALOX12
SCHEMBL4712609 0.80 GPBAR1 (0.35) AQP1GRM2PDE3BPDE3A

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