SCHEMBL4728002

SCHEMBL4728002

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 2/20 0.45
MGAT2 Q10469 1/20 0.45
DRD3 P35462 3/20 0.43
KDM2B Q8NHM5 1/20 0.41
BRD4 O60885 2/20 0.40
TP53 P04637 2/20 0.39
CNR2 P34972 1/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
SGK1 O00141 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RORC P51449 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL4726285 0.91 PKM (0.48) MOGAT2MGAT2DRD3BRD4TP53
SCHEMBL4729847 0.90 MOGAT2 (0.46) MOGAT2MGAT2DRD3BRD4CNR2
SCHEMBL4729520 0.89 MOGAT2 (0.44) MOGAT2MGAT2DRD3BRD4CNR2
SCHEMBL4729815 0.88 ALDH1A1 (0.47) MOGAT2MGAT2DRD3BRD4CNR2
SCHEMBL4729811 0.85 ALDH1A1 (0.50) MOGAT2MGAT2DRD3CNR2MAPT
SCHEMBL4779866 0.85 DRD3 (0.49) MOGAT2MGAT2DRD3CNR2PKM
SCHEMBL4725656 0.83 KMT2A (0.45) DRD3BRD4CNR2PKMMAPT
SCHEMBL4727043 0.83 GFER (0.48) MOGAT2MGAT2DRD3MAPT
SCHEMBL4725665 0.81 GHSR (0.44) MOGAT2MGAT2DRD3BRD4CNR2
SCHEMBL4727679 0.81 ALDH1A1 (0.48) DRD3TP53CNR2PKMMAPT

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