SCHEMBL4728262

SCHEMBL4728262

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL4725464 0.89 HDAC3 (0.49) DRD3HDAC1HDAC8HDAC3HDAC4
SCHEMBL1546302 0.86 HDAC1 (0.48) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL1546305 0.86 HDAC1 (0.48) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL4727610 0.86 UCHL1 (0.51) DRD2DRD3KCNH2MAPTLMNA
SCHEMBL4729811 0.86 ALDH1A1 (0.50) DRD3MAPTLMNAALDH1A1FFAR4
SCHEMBL4778138 0.85 LMNA (0.51) MAPTLMNASMN1; SMN2ALDH1A1GLA
SCHEMBL4725768 0.85 MAPT (0.51) DRD3MAPTLMNATP53SMN1; SMN2
SCHEMBL4726548 0.84 CRHBP (0.48) DRD2DRD3KCNH2HDAC1HDAC8
SCHEMBL4728012 0.84 CES1 (0.48) DRD2DRD3KCNH2MAPTLMNA
SCHEMBL4726510 0.84 CNR2 (0.49) DRD2DRD3KCNH2MAPTLMNA

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