SCHEMBL4608124

SCHEMBL4608124

[CH2]C1Cc2cc(C(F)(F)F)cc(-c3ccsc3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.39
TOP1 P11387 1/20 0.35
DRD2 P14416 1/20 0.34
IDH2 P48735 15/20 0.34
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4608126 0.86 CETP (0.39) CETPTOP1DRD2IDH2POLB
SCHEMBL4224980 0.83 PRKAB2 (0.41) CETPTOP1DRD2IDH2POLB
SCHEMBL4595686 0.82 DRD2 (0.38) DRD2
SCHEMBL4597024 0.80 PTGS1 (0.34) DRD2
SCHEMBL4596683 0.79 PTGS1 (0.36) DRD2
SCHEMBL4596880 0.79 PTGS1 (0.37) DRD2POLB
SCHEMBL4760715 0.79 HTR1A (0.43) L3MBTL1
SCHEMBL4596618 0.79 MAOB (0.39) DRD2IDH2
SCHEMBL6047930 0.78 DRD2 (0.33) DRD2
SCHEMBL4597183 0.78 PRKAB2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed
WO-2006116171-A1 TREATMENT OF PAIN WYETH (US) 2006-11-02 WO disclosed