SCHEMBL4596468

SCHEMBL4596468

COc1ccc(-c2cc(C)cc3c2OC(C)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAPT P10636 2/20 0.38
BRD4 O60885 3/20 0.37
MAOB P27338 4/20 0.37
F2RL3 Q96RI0 1/20 0.37
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MAOA P21397 1/20 0.36
DRD2 P14416 1/20 0.36
TP53 P04637 1/20 0.35
ACHE P22303 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL4596758 0.87 MAOA (0.43) KDM4EBRD4MAOBGPR84MAOA
SCHEMBL4596465 0.85 ALDH1A1 (0.37) ALDH1A1DYRK1AMAPTMAOBF2RL3
SCHEMBL4595377 0.85 PARP1 (0.46) ALDH1A1KDM4ETSHRHSD17B10CLK1
SCHEMBL4597067 0.83 PARP1 (0.43) ALDH1A1KDM4EMAPTBRD4MAOB
SCHEMBL4597074 0.83 BRD4 (0.39) BRD4MAOBMAOAGRM2
SCHEMBL6047932 0.83 BACE1 (0.43) ALDH1A1KDM4ETSHRHSD17B10CLK1
SCHEMBL4222368 0.82 PRKAB2 (0.51) ALDH1A1KDM4EMAPTMAOBF2RL3
SCHEMBL4596476 0.82 PTGDR2 (0.40) ALDH1A1KDM4ETSHRHSD17B10CLK1
SCHEMBL4596788 0.81 DRD2 (0.52) CLK1DYRK1ADYRK1BBRD4ABL1
SCHEMBL4226625 0.80 PRKAB2 (0.42) 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