SCHEMBL4712948

SCHEMBL4712948

CC1Cc2cccc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.44
CREBBP Q92793 7/20 0.44
PARP1 P09874 3/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTR1A P08908 4/20 0.40
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AQP1 P29972 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
SCHEMBL4595292 0.89 AQP1 (0.44) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4595480 0.87 PARP1 (0.43) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4622437 0.85 AQP1 (0.41) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4649844 0.85 PARP1 (0.48) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4595395 0.84 PARP1 (0.43) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4596121 0.84 PRKAB2 (0.41) BRD4CREBBPPARP1HTR1AL3MBTL1
SCHEMBL4711112 0.83 HTR2A (0.36) BRD4CREBBPCNR1CNR2HTR1A
SCHEMBL4595495 0.82 PARP1 (0.46) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4766477 0.82 AQP1 (0.39) BRD4CREBBPPARP1CNR1CNR2
SCHEMBL4713102 0.81 AQP1 (0.54) BRD4CREBBPPARP1CNR1CNR2

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 25 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-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP claimed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 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
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO claimed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
WO-2006116171-A1 TREATMENT OF PAIN 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-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS WYETH (US) 2006-11-02 WO 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
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