SCHEMBL4778150

SCHEMBL4778150

CCN1CCOC(c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.50
DRD3 P35462 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4779866 0.89 DRD3 (0.49) PGRDRD3LMNAPKMMAPK1
SCHEMBL4729823 0.89 DRD3 (0.49) PGRDRD3MAPTLMNAPKM
SCHEMBL4728012 0.88 CES1 (0.48) DRD3MAPTLMNATDP1ALDH1A1
SCHEMBL4726510 0.87 CNR2 (0.49) DRD3MAPTLMNAPKMMAPK1
SCHEMBL4726498 0.86 ALDH1A1 (0.44) DRD3MAPTLMNATDP1PKM
SCHEMBL4727043 0.85 GFER (0.48) DRD3MAPTLMNAALDH1A1
SCHEMBL4726646 0.84 DRD3 (0.47) DRD3CNR2
SCHEMBL4725464 0.83 HDAC3 (0.49) DRD3MAPTLMNAPKMHDAC3
SCHEMBL4725768 0.82 MAPT (0.51) DRD3MAPTLMNAPKMMAPK1
SCHEMBL4725454 0.82 DRD3 (0.57) PGRDRD3MAPTLMNAPKM

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