SCHEMBL4727604

SCHEMBL4727604

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3C)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD3 P35462 3/20 0.46
CNR2 P34972 4/20 0.44
MOGAT2 Q3SYC2 3/20 0.42
PKM P14618 1/20 0.41
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
PTPN5 P54829 2/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4727167 0.88 DRD3 (0.45) LMNAMAPTDRD3CNR2MOGAT2
SCHEMBL4729815 0.88 ALDH1A1 (0.47) MEN1MAPTKMT2ADRD3CNR2
SCHEMBL4727679 0.88 ALDH1A1 (0.48) MEN1LMNAMAPTKMT2ADRD3
SCHEMBL4725656 0.88 KMT2A (0.45) MEN1LMNAMAPTKMT2ADRD3
SCHEMBL4729520 0.86 MOGAT2 (0.44) LMNADRD3CNR2MOGAT2PKM
SCHEMBL4725665 0.86 GHSR (0.44) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4726285 0.86 PKM (0.48) MEN1LMNACYP3A4CYP2D6MAPT
SCHEMBL4725658 0.86 DRD3 (0.45) MAPTDRD3CNR2MOGAT2TP53
SCHEMBL4726510 0.86 CNR2 (0.49) MEN1LMNAMAPTKMT2ADRD3
SCHEMBL4727964 0.83 KDM2B (0.44) DRD3CNR2MOGAT2MGAT2BRD4

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