SCHEMBL4596880

SCHEMBL4596880

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.37
PTGS2 P35354 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
TACR1 P25103 3/20 0.35
TACR2 P21452 2/20 0.35
AQP1 P29972 2/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALOX5 P09917 1/20 0.32
THRB P10828 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
SCHEMBL4595686 0.90 DRD2 (0.38) DRD2
SCHEMBL4597024 0.88 PTGS1 (0.34) PTGS1PTGS2TACR1TACR2PDE3B
SCHEMBL4596125 0.87 GABRP (0.36) PTGS1PTGS2AQP1THRB
SCHEMBL4596683 0.86 PTGS1 (0.36) PTGS1PTGS2TACR1TACR2ALDH1A1
SCHEMBL4595446 0.86 GAA (0.37) KDM4EALDH1A1LMNAHPGDTHRB
SCHEMBL4597183 0.85 PRKAB2 (0.34) PTGS1PTGS2PDE3BPDE3A
SCHEMBL4596885 0.85 MAOA (0.39) PTGS1PTGS2PTGDR2TACR1TACR2
SCHEMBL4597042 0.84 AQP1 (0.39) AQP1ALDH1A1THRB
SCHEMBL4963747 0.83 AQP1 (0.47) PTGS1PTGS2AQP1NPC1RAB9A
SCHEMBL4596474 0.83 PTGDR2 (0.40) PTGS1PTGS2PTGDR2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 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-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed