SCHEMBL4596995

SCHEMBL4596995

Cc1cccc(-c2cc(Cl)cc3c2OC(C)C3)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.39
BRD4 O60885 4/20 0.38
CREBBP Q92793 3/20 0.38
AQP1 P29972 2/20 0.36
PARP1 P09874 3/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4595334 0.87 PARP1 (0.41) HTR1ABRD4CREBBPAQP1PARP1
SCHEMBL4596991 0.85 HTR2A (0.37) AQP1HTR2AHTR2C
SCHEMBL4234706 0.83 AQP1 (0.51) AQP1HTR2AHTR2C
SCHEMBL4713784 0.82 HTR1A (0.42) HTR1ABRD4CREBBPAQP1PARP1
SCHEMBL4597019 0.82 LMNA (0.38) HTR1ABRD4CREBBPPARP1KDM4E
SCHEMBL4230246 0.81 AQP1 (0.41) AQP1HTR2AHTR2C
SCHEMBL4230242 0.81 AQP1 (0.58) AQP1HTR2AHTR2C
SCHEMBL4710012 0.81 GPBAR1 (0.38) HTR1ABRD4CREBBPPARP1MAOA
SCHEMBL4596982 0.80 AQP1 (0.50) HTR1ABRD4CREBBPAQP1PARP1
SCHEMBL4596590 0.80 HTR1A (0.38) HTR1ABRD4CREBBPAQP1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
JP-2007509174-A 2007-04-12 JP 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
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-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
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-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed