SCHEMBL4595322

SCHEMBL4595322

CC1Cc2cc(Cl)cc(-c3ccc(Cl)cc3Cl)c2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.51
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
EZH2 Q15910 1/20 0.38
HTR1A P08908 4/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AHR P35869 1/20 0.34
HSD11B1 P28845 1/20 0.34
PARP1 P09874 3/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
AKR1B1 P15121 1/20 0.33
METAP1 P53582 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
SCHEMBL4622437 0.90 AQP1 (0.41) AQP1HTR2AHTR2CEZH2HTR1A
SCHEMBL4623489 0.89 AQP1 (0.49) AQP1HTR2AHTR2CHTR1AKDM4E
SCHEMBL4712234 0.87 AQP1 (0.67) AQP1HTR2AHTR2CHTR1AKDM4E
SCHEMBL4758945 0.85 AQP1 (0.46) AQP1HTR2CKDM4EALDH1A1LMNA
SCHEMBL4595292 0.84 AQP1 (0.44) AQP1HTR1APARP1BRD4CREBBP
SCHEMBL4595318 0.82 AQP1 (0.51) AQP1HTR2AHTR2CEZH2ALDH1A1
SCHEMBL4597091 0.82 HTR2A (0.46) HTR2AHTR2CKDM4ETDP1ALDH1A1
SCHEMBL4596982 0.81 AQP1 (0.50) AQP1EZH2HTR1APARP1BRD4
SCHEMBL4713784 0.80 HTR1A (0.42) AQP1EZH2HTR1APARP1BRD4
SCHEMBL4766477 0.80 AQP1 (0.39) AQP1HTR2AHTR2CHTR1AKDM4E

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-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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (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-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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
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-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-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
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION 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