SCHEMBL4623489

SCHEMBL4623489

Cc1cc2c(c(-c3ccc(Cl)cc3Cl)c1)OC(C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.49
F2RL3 Q96RI0 2/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 2/20 0.33
HTR1A P08908 1/20 0.33
PARP1 P09874 3/20 0.33
CRHR1 P34998 1/20 0.33
AHR P35869 1/20 0.33
CREBBP Q92793 1/20 0.32
KIF11 P52732 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4766477 0.89 AQP1 (0.39) AQP1KDM4ETDP1ALDH1A1LMNA
SCHEMBL4595322 0.89 AQP1 (0.51) AQP1HSD11B1KDM4ETDP1ALDH1A1
SCHEMBL4623485 0.85 AQP1 (0.48) AQP1F2RL3HSD11B1KDM4EALDH1A1
SCHEMBL4712234 0.85 AQP1 (0.67) AQP1HSD11B1KDM4ETDP1ALDH1A1
SCHEMBL4710394 0.84 CNR1 (0.38) AQP1ALDH1A1BRD4HTR1APARP1
SCHEMBL4597074 0.83 BRD4 (0.39) AQP1BRD4HTR1APARP1AHR
SCHEMBL4758945 0.83 AQP1 (0.46) AQP1KDM4EALDH1A1LMNAHPGD
SCHEMBL5605411 0.83 AQP1 (0.46) AQP1F2RL3HSD11B1KDM4EALDH1A1
SCHEMBL4595292 0.82 AQP1 (0.44) AQP1BRD4HTR1APARP1CRHR1
SCHEMBL4224721 0.82 AQP1 (0.74) AQP1F2RL3HSD11B1CRHR1HTR2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP claimed
EP-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 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
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
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-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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 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-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS 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-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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