SCHEMBL4595103

SCHEMBL4595103

COc1cc2c(c(-c3cccc(Cl)c3Cl)c1)OC(C)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
HTR1A P08908 3/20 0.37
MAPK14 Q16539 2/20 0.36
P2RX7 Q99572 2/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
LMNA P02545 1/20 0.35
CHRM5 P08912 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AQP1 P29972 1/20 0.34
PARP1 P09874 3/20 0.34
SLC5A2 P31639 2/20 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
SCHEMBL4595488 0.90 MAPK14 (0.42) MAPK14LMNAKDM4EALDH1A1TSHR
SCHEMBL4595098 0.86 NUDT1 (0.42) NUDT1HTR1AMAPK14P2RX7LMNA
SCHEMBL4713784 0.84 HTR1A (0.42) HTR1ABRD4CREBBPAQP1PARP1
SCHEMBL4226069 0.83 PRKAB2 (0.50) NUDT1MAPK14P2RX7LMNACHRM5
SCHEMBL4767762 0.82 AQP1 (0.51) HTR1AP2RX7BRD4CREBBPAQP1
SCHEMBL4863731 0.82 NUDT1 (0.39) NUDT1MAPK14P2RX7LMNACHRM5
SCHEMBL4234537 0.82 PRKAB2 (0.41) NUDT1MAPK14P2RX7LMNACHRM5
SCHEMBL4234532 0.82 AQP1 (0.57) NUDT1MAPK14P2RX7LMNACHRM5
SCHEMBL4758945 0.81 AQP1 (0.46) P2RX7LMNAKDM4EALDH1A1TSHR
SCHEMBL4595609 0.81 S1PR4 (0.38) BRD4CREBBPLMNAKDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF 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-1879569-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS Wyeth (US) 2008-01-23 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116221-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS 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