SCHEMBL4726285

SCHEMBL4726285

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
ATM Q13315 1/20 0.48
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
MOGAT2 Q3SYC2 2/20 0.44
MGAT2 Q10469 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD3 P35462 3/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
CNR2 P34972 1/20 0.38
SGK1 O00141 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4729520 0.92 MOGAT2 (0.44) PKMATMBRD4CREBBPMOGAT2
SCHEMBL4728002 0.91 MOGAT2 (0.45) PKMATMBRD4CREBBPMOGAT2
SCHEMBL4725656 0.90 KMT2A (0.45) PKMBRD4MAPTTHRBSMN1; SMN2
SCHEMBL4729847 0.89 MOGAT2 (0.46) PKMATMBRD4MOGAT2MGAT2
SCHEMBL4725665 0.88 GHSR (0.44) PKMATMBRD4CREBBPMOGAT2
SCHEMBL4727604 0.86 MEN1 (0.47) PKMBRD4MOGAT2MGAT2MAPT
SCHEMBL4729811 0.85 ALDH1A1 (0.50) MOGAT2MGAT2MAPTDRD3HTT
SCHEMBL4779866 0.84 DRD3 (0.49) PKMMOGAT2MGAT2DRD3HTT
SCHEMBL4727679 0.84 ALDH1A1 (0.48) PKMMAPTTP53SMN1; SMN2DRD3
SCHEMBL4729815 0.83 ALDH1A1 (0.47) BRD4MOGAT2MGAT2MAPTDRD3

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