SCHEMBL4595544

SCHEMBL4595544

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2J2 P51589 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4F8 P98187 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL4595545 0.86 GRM2 (0.41) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4597165 0.86 NPC1 (0.37) DHODHNAAAMAOBRPS6KA3
SCHEMBL4595474 0.83 PARP10 (0.34) HTR2CSIGMAR1RPS6KA3
SCHEMBL4595105 0.83 TAAR1 (0.36) HTR1AHTR2C
SCHEMBL4234292 0.82 PRKAB2 (0.48) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4710703 0.81 KDM1A (0.41) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL6047912 0.81 GPR84 (0.41) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4597571 0.81 PGR (0.35) MAOBHTR1ABACE1
SCHEMBL4597054 0.78 HTR1A (0.48) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL4596818 0.77 KDM4E (0.44) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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