SCHEMBL4597052

SCHEMBL4597052

CC1Cc2cc(C(F)(F)F)cc(-c3cccc(F)c3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PARP1 P09874 6/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GRM2 Q14416 1/20 0.35
ATM Q13315 1/20 0.34
CHRM3 P20309 1/20 0.34
NT5E P21589 1/20 0.34
BRD4 O60885 1/20 0.33
PGR P06401 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL4760717 0.90 HTR1A (0.44) HTR1AHTR7MAOAMAOBATM
SCHEMBL4712620 0.88 MAOA (0.38) HTR1AHTR7PARP1MAOAMAOB
SCHEMBL4595448 0.86 HTR1A (0.39) HTR1AHTR7PARP1MAOAMAOB
SCHEMBL4597049 0.86 HTR1A (0.38) HTR1AHTR7PDE3BPDE3AATM
SCHEMBL4597027 0.86 PARP1 (0.40) HTR1AHTR7PDE3BPDE3APARP1
SCHEMBL4597647 0.85 PARP1 (0.48) HTR1AHTR7PDE3BPDE3APARP1
SCHEMBL4596822 0.84 KDM4E (0.44) HTR1AHTR7MAOAMAOBGRM2
SCHEMBL4597185 0.84 MAOA (0.36) HTR1APDE3BPDE3APARP1MAOA
SCHEMBL4595688 0.83 MAOA (0.46) HTR1APARP1MAOAMAOBGRM2
SCHEMBL4596409 0.82 PARP1 (0.39) HTR1AHTR7PARP1MAOAMAOB

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
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP claimed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO claimed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed