SCHEMBL4597645

SCHEMBL4597645

[CH2]C1Cc2cc(F)cc(-c3cccc(F)c3)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.40
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PDE4B Q07343 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ESR2 Q92731 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
NOTUM Q6P988 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL4596405 0.88 HTR1A (0.36) AQP1HTR1AHTR7PRKAB2PRKAG1
SCHEMBL5060185 0.88 AQP1 (0.40) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4625848 0.87 PRKAB2 (0.45) HTR1AHTR7PRKAB2PRKAG1PRKAA2
SCHEMBL4597049 0.87 HTR1A (0.38) AQP1HTR1AHTR7PRKAB2PRKAG1
SCHEMBL4710703 0.84 KDM1A (0.41) AQP1HTR1AHTR7
SCHEMBL4596635 0.84 AQP1 (0.39) AQP1HTR1AHTR7PRKAB2PRKAG1
SCHEMBL4597647 0.83 PARP1 (0.48) AQP1HTR1AHTR7PDE3BPDE3A
SCHEMBL4597056 0.81 TDO2 (0.38) AQP1PDE4B
SCHEMBL4712664 0.81 AQP1 (0.46) AQP1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596739 0.80 AQP1 (0.38) AQP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
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-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO claimed
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 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-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-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed