SCHEMBL4597019

SCHEMBL4597019

COc1cc2c(c(-c3cccc(C)c3C)c1)OC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 4/20 0.36
CREBBP Q92793 3/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.35
HTR1A P08908 3/20 0.35
PARP1 P09874 3/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4597402 0.90 KDM4E (0.39) LMNAKDM4EALDH1A1HSD17B10TSHR
SCHEMBL4596874 0.87 KDM4E (0.39) KDM4EALDH1A1HSD17B10TSHRBRD4
SCHEMBL4597017 0.86 LMNA (0.38) LMNAKDM4EALDH1A1HPGDTHRB
SCHEMBL4231250 0.84 PRKAB2 (0.52) LMNATHRBPRKAB2PRKAG1PRKAA2
SCHEMBL4230319 0.82 PRKAB2 (0.43) LMNATHRBPRKAB2PRKAG1PRKAA2
SCHEMBL4230313 0.82 AQP1 (0.48) LMNATHRBPRKAB2PRKAG1PRKAA2
SCHEMBL4596995 0.82 HTR1A (0.39) KDM4ETSHRBRD4CREBBPHTR1A
SCHEMBL4711431 0.82 TP53 (0.41) LMNAKDM4EALDH1A1HSD17B10TSHR
SCHEMBL4597301 0.81 KDM4E (0.37) LMNAKDM4EALDH1A1HSD17B10TSHR
SCHEMBL4595103 0.81 NUDT1 (0.43) LMNAKDM4EALDH1A1HSD17B10TSHR

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 9 patents. 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
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-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO claimed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871354-A1 TREATMENT OF PAIN Wyeth (US) 2008-01-02 EP 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