SCHEMBL4595096

SCHEMBL4595096

[CH2]C1Cc2cc(F)cc(-c3cc(C)ccc3OC)c2O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.35
CETP P11597 1/20 0.34
ACHE P22303 1/20 0.34
CCNT1 O60563 3/20 0.33
CDK9 P50750 3/20 0.33
CTSA P10619 1/20 0.32
CREBBP Q92793 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL4714768 0.88 MAOB (0.36) AQP1ACHEALDH1A1
SCHEMBL4606789 0.87 AQP1 (0.47) AQP1CETPCCNT1CDK9CTSA
SCHEMBL4595097 0.86 PARP1 (0.43) AQP1ACHECCNT1CDK9CREBBP
SCHEMBL4596598 0.85 HTR7 (0.37) AQP1CREBBPHTR2AHTR2CLMNA
SCHEMBL4596814 0.85 AQP1 (0.40) AQP1ACHEL3MBTL1
SCHEMBL4220657 0.82 AQP1 (0.56) AQP1HTR2C
SCHEMBL4220125 0.81 AQP1 (0.59) AQP1CCNT1CDK9CTSAHTR2A
SCHEMBL4220133 0.81 AQP1 (0.46) AQP1
SCHEMBL4712083 0.81 CYP1A1 (0.40) AQP1CTSAALDH1A1CYP3A4LMNA
SCHEMBL4596845 0.80 AQP1 (0.39) AQP1CREBBPALDH1A1LMNA

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 18 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
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
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-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-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
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed
WO-2006116171-A1 TREATMENT OF PAIN 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