SCHEMBL4729520

SCHEMBL4729520

CCN1CCOC(c2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 2/20 0.44
MGAT2 Q10469 1/20 0.44
DRD3 P35462 3/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
USP30 Q70CQ3 1/20 0.40
PKM P14618 2/20 0.40
ATM Q13315 1/20 0.40
SGK1 O00141 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
IDH1 O75874 2/20 0.39
UBE2N P61088 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 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 0.92 PKM (0.48) MOGAT2MGAT2DRD3HTTLMNA
SCHEMBL4727679 0.90 ALDH1A1 (0.48) DRD3LMNAPKMUBE2NSMN1; SMN2
SCHEMBL4728002 0.89 MOGAT2 (0.45) MOGAT2MGAT2DRD3PKMATM
SCHEMBL4729847 0.87 MOGAT2 (0.46) MOGAT2MGAT2DRD3PKMATM
SCHEMBL4727604 0.86 MEN1 (0.47) MOGAT2MGAT2DRD3LMNAPKM
SCHEMBL4729811 0.85 ALDH1A1 (0.50) MOGAT2MGAT2DRD3HTTLMNA
SCHEMBL4725656 0.84 KMT2A (0.45) DRD3HTTLMNAPKMBRD4
SCHEMBL4779866 0.84 DRD3 (0.49) MOGAT2MGAT2DRD3HTTLMNA
SCHEMBL4729815 0.83 ALDH1A1 (0.47) MOGAT2MGAT2DRD3SGK1BRD4
SCHEMBL4725665 0.82 GHSR (0.44) MOGAT2MGAT2DRD3LMNAPKM

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