SCHEMBL4596465

SCHEMBL4596465

[CH2]C1Cc2cc(C)cc(-c3ccc(OC)cc3)c2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 5/20 0.36
F2RL3 Q96RI0 1/20 0.36
DRD2 P14416 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
ACLY P53396 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4596756 0.87 MAOB (0.34) ALDH1A1MAPTMAOBKMT2A
SCHEMBL4595373 0.85 MAOB (0.38) MAPTMAOBDRD2ABL1ABCB1
SCHEMBL4596468 0.85 ALDH1A1 (0.42) ALDH1A1MAPTMAOBF2RL3DRD2
SCHEMBL4597070 0.83 PTGS1 (0.33) MAPTHTR1AHTR7NPC1RAB9A
SCHEMBL4597063 0.83 MAOB (0.34) ALDH1A1MAPTMAOBHTR1AHTR7
SCHEMBL4596474 0.83 PTGDR2 (0.40) MAPTMAOBDRD2RAB9AKMT2A
SCHEMBL6047929 0.83 BACE1 (0.42) ALDH1A1MAPTABL1ABCB1BCR
SCHEMBL4596785 0.82 DRD2 (0.51) MAPTMAOBDRD2ABL1ABCB1
SCHEMBL4222368 0.81 PRKAB2 (0.51) ALDH1A1MAPTMAOBF2RL3DRD2
SCHEMBL4226616 0.79 AQP1 (0.45) ALDH1A1MAPTMAOBF2RL3DRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO claimed
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 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