SCHEMBL4771328

SCHEMBL4771328

Cc1cccc(C)c1-c1cc(C(F)(F)F)cc2c1OC(C)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
PARP1 P09874 6/20 0.38
BRD4 O60885 3/20 0.37
CREBBP Q92793 1/20 0.37
HTR1A P08908 4/20 0.36
AQP1 P29972 1/20 0.36
KDM4E B2RXH2 1/20 0.33
TSHR P16473 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
SCHEMBL4710012 0.87 GPBAR1 (0.38) MAOAMAOBPARP1BRD4CREBBP
SCHEMBL4596606 0.87 MAOA (0.39) MAOAMAOBPARP1BRD4CREBBP
SCHEMBL4771326 0.87 AQP1 (0.36) MAOAMAOBBRD4HTR1AAQP1
SCHEMBL4225497 0.85 PRKAB2 (0.46) MAOAMAOBBRD4HTR1AAQP1
SCHEMBL4595445 0.82 PARP1 (0.51) MAOAMAOBPARP1BRD4CREBBP
SCHEMBL4712620 0.82 MAOA (0.38) MAOAMAOBPARP1BRD4HTR1A
SCHEMBL4759260 0.82 PARP1 (0.42) MAOAMAOBPARP1BRD4CREBBP
SCHEMBL4760717 0.82 HTR1A (0.44) MAOAMAOBBRD4HTR1AKDM4E
SCHEMBL4595334 0.81 PARP1 (0.41) MAOAMAOBPARP1BRD4CREBBP
SCHEMBL4596686 0.80 MAOA (0.42) MAOAMAOBPARP1BRD4HTR1A

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-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP claimed
JP-2007509174-A 2007-04-12 JP claimed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS 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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 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
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 disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed