SCHEMBL4596885

SCHEMBL4596885

CC1Cc2cc(C(F)(F)F)cc(-c3ccc(Cl)cc3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TACR1 P25103 3/20 0.37
TACR2 P21452 2/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PARP1 P09874 6/20 0.34
BRD4 O60885 1/20 0.34
HTR1A P08908 1/20 0.34
AQP1 P29972 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4595688 0.91 MAOA (0.46) MAOAMAOBPARP1BRD4HTR1A
SCHEMBL4597027 0.88 PARP1 (0.40) MAOAMAOBTACR1TACR2PTGS1
SCHEMBL4596686 0.88 MAOA (0.42) MAOAMAOBPTGS1PTGS2PARP1
SCHEMBL4596127 0.88 GRM2 (0.38) MAOAMAOBPTGS1PTGS2PARP1
SCHEMBL4595448 0.86 HTR1A (0.39) MAOAMAOBKDM4EALDH1A1LMNA
SCHEMBL4597185 0.86 MAOA (0.36) MAOAMAOBPTGS1PTGS2PARP1
SCHEMBL4596880 0.85 PTGS1 (0.37) CNR1CNR2TACR1TACR2PTGS1
SCHEMBL4596476 0.85 PTGDR2 (0.40) MAOAMAOBPTGDR2KDM4EALDH1A1
SCHEMBL4597043 0.85 AQP1 (0.38) MAOAMAOBCNR1CNR2ALDH1A1
SCHEMBL4963750 0.82 PARP1 (0.48) CNR1CNR2PTGS1PTGS2PARP1

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