SCHEMBL4728036

SCHEMBL4728036

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C=O)cc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 8/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
MOGAT2 Q3SYC2 3/20 0.38
MGAT2 Q10469 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4728980 0.91 DRD3 (0.42) DRD3DRD2KCNH2CNR2ALDH1A1
SCHEMBL4725768 0.88 MAPT (0.51) DRD3CNR2ALDH1A1MAPTUSP2
SCHEMBL4727610 0.87 UCHL1 (0.51) DRD3DRD2KCNH2CNR2ALDH1A1
SCHEMBL4728012 0.87 CES1 (0.48) DRD3DRD2KCNH2CNR2ALDH1A1
SCHEMBL4729811 0.87 ALDH1A1 (0.50) DRD3CNR2ALDH1A1MAPTMOGAT2
SCHEMBL4726510 0.87 CNR2 (0.49) DRD3DRD2KCNH2CNR2ALDH1A1
SCHEMBL4726548 0.85 CRHBP (0.48) DRD3DRD2KCNH2ALDH1A1MAPT
SCHEMBL4730511 0.85 FFAR1 (0.44) DRD3DRD2KCNH2CNR2ALDH1A1
SCHEMBL4725454 0.85 DRD3 (0.57) DRD3DRD2KCNH2ALDH1A1MAPT
SCHEMBL4725306 0.84 POLB (0.54) DRD3ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO disclosed