SCHEMBL4725658

SCHEMBL4725658

CCN1CCOC(c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.45
CNR2 P34972 4/20 0.41
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
HSD11B1 P28845 4/20 0.40
GSPT1 P15170 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MOGAT2 Q3SYC2 2/20 0.39
MAPT P10636 1/20 0.39
MGAT2 Q10469 1/20 0.38
TP53 P04637 1/20 0.38
SGK1 O00141 1/20 0.38
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4727604 0.86 MEN1 (0.47) DRD3CNR2MOGAT2MAPTMGAT2
SCHEMBL4729815 0.83 ALDH1A1 (0.47) DRD3CNR2MOGAT2MAPTMGAT2
SCHEMBL4727167 0.83 DRD3 (0.45) DRD3CNR2MOGAT2MAPTMGAT2
SCHEMBL4729847 0.82 MOGAT2 (0.46) DRD3CNR2MOGAT2MGAT2SGK1
SCHEMBL4778150 0.81 PGR (0.50) DRD3CNR2MAPTTP53
SCHEMBL4726498 0.81 ALDH1A1 (0.44) DRD3DDB1CRBNMAPTTP53
SCHEMBL4728012 0.81 CES1 (0.48) DRD3CNR2MOGAT2MAPTMGAT2
SCHEMBL4726510 0.80 CNR2 (0.49) DRD3CNR2MOGAT2MAPTKCNH2
SCHEMBL4725656 0.80 KMT2A (0.45) DRD3CNR2MAPT
SCHEMBL4729823 0.80 DRD3 (0.49) DRD3CNR2MAPT

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