SCHEMBL4728980

SCHEMBL4728980

C=Cc1ccc(S(=O)(=O)Nc2ccc(C3CN(CC)CCO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.41
KCNH2 Q12809 2/20 0.41
PTPN2 P17706 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN5 P54829 2/20 0.39
ALDH1A1 P00352 5/20 0.38
CNR2 P34972 1/20 0.38
GLA P06280 1/20 0.38
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 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4728036 0.91 DRD3 (0.42) DRD3DRD2KCNH2ALDH1A1CNR2
SCHEMBL4725768 0.87 MAPT (0.51) DRD3ALDH1A1CNR2MAPTUSP2
SCHEMBL4728012 0.86 CES1 (0.48) DRD3DRD2KCNH2ALDH1A1CNR2
SCHEMBL4729811 0.86 ALDH1A1 (0.50) DRD3ALDH1A1CNR2MAPTMOGAT2
SCHEMBL4727610 0.86 UCHL1 (0.51) DRD3DRD2KCNH2ALDH1A1CNR2
SCHEMBL4726510 0.86 CNR2 (0.49) DRD3DRD2KCNH2ALDH1A1CNR2
SCHEMBL4726548 0.84 CRHBP (0.48) DRD3DRD2KCNH2ALDH1A1MAPT
SCHEMBL4725454 0.84 DRD3 (0.57) DRD3DRD2KCNH2ALDH1A1MAPT
SCHEMBL4730511 0.84 FFAR1 (0.44) DRD3DRD2KCNH2ALDH1A1CNR2
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