SCHEMBL4595329

SCHEMBL4595329

CC1Cc2cccc(-c3cccnc3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
PARP1 P09874 3/20 0.47
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
CYP19A1 P11511 3/20 0.45
CYP17A1 P05093 1/20 0.43
GRM2 Q14416 1/20 0.41
PTGS2 P35354 1/20 0.40
HTR1A P08908 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOB P27338 2/20 0.39

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
SCHEMBL4595328 0.83 CYP11B1 (0.43) MAOACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL4597059 0.81 PARP1 (0.47) MAOAPARP1CYP11B1CYP11B2CYP19A1
SCHEMBL4225039 0.80 PRKAB2 (0.59) MAOACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL5141673 0.80 PRKAB2 (0.44) MAOACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL4232184 0.79 AQP1 (0.46) MAOACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL4596600 0.78 MAOA (0.44) MAOACYP11B1CYP11B2CYP19A1GRM2
SCHEMBL5060050 0.77 CYP11B1 (0.39) MAOACYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL4596910 0.77 PARP1 (0.49) MAOAPARP1HTR1AMAOB
SCHEMBL4625851 0.75 HTR1A (0.47) PARP1GRM2HTR1A
SCHEMBL4220416 0.75 PRKAB2 (0.41) MAOACYP11B1CYP11B2CYP19A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP claimed
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-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP claimed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP claimed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO 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-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-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-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