SCHEMBL4597018

SCHEMBL4597018

[CH2]C1Cc2cc(Cl)cc(-c3ccoc3)c2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 6/20 0.37
TYRO3 Q06418 1/20 0.35
CSNK2A1 P68400 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
DRD2 P14416 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL4597020 0.83 GPR84 (0.35) USP7TYRO3CSNK2A1GPR84DRD2
SCHEMBL4969191 0.83 AQP1 (0.36) GPR84DRD2MEN1ALDH1A1CYP1A2
SCHEMBL6047930 0.81 DRD2 (0.33) DRD2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4226704 0.80 AQP1 (0.49) USP7TYRO3CSNK2A1GPR84DRD2
SCHEMBL5583517 0.78 USP7 (0.37) USP7
SCHEMBL4597197 0.77 USP7 (0.36) USP7
SCHEMBL4596978 0.75 AQP1 (0.47) USP7
SCHEMBL4622435 0.75 HTR2A (0.42) USP7ALDH1A1
SCHEMBL4595318 0.74 AQP1 (0.51) USP7ALDH1A1
SCHEMBL4595332 0.73 AQP1 (0.40) USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP 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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed