SCHEMBL4725464

SCHEMBL4725464

CCN1CCOC(c2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PKLR P30613 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
DRD3 P35462 1/20 0.44
KIT P10721 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
SERPINE1 P05121 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 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
SCHEMBL4728262 0.89 DRD2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4779866 0.86 DRD3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4729823 0.84 DRD3 (0.49) HDAC1HDAC8DRD3LMNAMAPT
SCHEMBL4778150 0.83 PGR (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4726510 0.83 CNR2 (0.49) DRD3LMNAMAPTALDH1A1PKM
SCHEMBL4727964 0.82 KDM2B (0.44) KDM2BDRD3DDB1CRBN
SCHEMBL4727043 0.80 GFER (0.48) DRD3LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1546903 0.80 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546906 0.80 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4727067 0.80 TP53 (0.44) DRD3LMNAMAPTSMN1; SMN2

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