SCHEMBL4597024

SCHEMBL4597024

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
SRC P12931 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
DRD2 P14416 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31
NTRK1 P04629 1/20 0.30
PTGS2 P35354 1/20 0.30
SCN9A Q15858 2/20 0.30
SCN5A Q14524 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL4595686 0.92 DRD2 (0.38) DRD2MAOAMAOBCHRM3HTR2A
SCHEMBL4596683 0.88 PTGS1 (0.36) PTGS1TACR2TACR1PDE3BPDE3A
SCHEMBL4596880 0.88 PTGS1 (0.37) PTGS1TACR2TACR1PDE3BPDE3A
SCHEMBL4597183 0.86 PRKAB2 (0.34) PTGS1PDE3BPDE3APTGS2
SCHEMBL4596635 0.85 AQP1 (0.39) PTGS1MAOBHTR1AHTR7PTGS2
SCHEMBL4597049 0.85 HTR1A (0.38) PDE3BPDE3AHTR1AHTR7GPR52
SCHEMBL4597027 0.85 PARP1 (0.40) PTGS1TACR2TACR1PDE3BPDE3A
SCHEMBL4596474 0.84 PTGDR2 (0.40) PTGS1DRD2MAOBPTGS2
SCHEMBL4759409 0.84 CETP (0.38) PDE3BPDE3A
SCHEMBL4712609 0.84 GPBAR1 (0.35) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
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
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed