SCHEMBL4728012

SCHEMBL4728012

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
DRD3 P35462 4/20 0.45
MAPT P10636 2/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 2/20 0.43
MGAT2 Q10469 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.41

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
SCHEMBL4725768 0.90 MAPT (0.51) DRD3MAPTLMNAHTTSMN1; SMN2
SCHEMBL4725454 0.89 DRD3 (0.57) DRD3MAPTDRD2KCNH2LMNA
SCHEMBL4727610 0.89 UCHL1 (0.51) DRD3MAPTDRD2KCNH2LMNA
SCHEMBL4729811 0.89 ALDH1A1 (0.50) DRD3MAPTLMNAHTTALDH1A1
SCHEMBL4726510 0.89 CNR2 (0.49) DRD3MAPTDRD2KCNH2LMNA
SCHEMBL4778150 0.88 PGR (0.50) DRD3MAPTLMNAALDH1A1TDP1
SCHEMBL4726498 0.88 ALDH1A1 (0.44) DRD3MAPTDRD2KCNH2LMNA
SCHEMBL4726548 0.87 CRHBP (0.48) DRD3MAPTDRD2KCNH2LMNA
SCHEMBL4728036 0.87 DRD3 (0.42) DRD3MAPTDRD2KCNH2LMNA
SCHEMBL4730511 0.87 FFAR1 (0.44) DRD3MAPTDRD2KCNH2LMNA

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