SCHEMBL4726323

SCHEMBL4726323

CCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(C2CN(CC)CCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
DRD3 P35462 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
UBE2N P61088 1/20 0.40
HTT P42858 1/20 0.39
ALPL P05186 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR2 P34972 2/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KAT7 O95251 1/20 0.36
KAT6B Q8WYB5 1/20 0.36
KAT6A Q92794 1/20 0.36
KAT5 Q92993 1/20 0.36

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
SCHEMBL4728553 0.92 ALPL (0.44) LMNADRD3ALDH1A1HTTALPL
SCHEMBL4727679 0.88 ALDH1A1 (0.48) MAPTLMNADRD3ALDH1A1UBE2N
SCHEMBL4725656 0.88 KMT2A (0.45) MAPTLMNADRD3ALDH1A1HTT
SCHEMBL4727053 0.86 LMNA (0.52) MAPTLMNANPSR1ALDH1A1HTT
SCHEMBL4729316 0.82 CYP19A1 (0.48) LMNADRD3NPSR1ALDH1A1HTT
SCHEMBL4725768 0.81 MAPT (0.51) MAPTLMNADRD3ALDH1A1HTT
SCHEMBL4725665 0.80 GHSR (0.44) MAPTLMNADRD3CNR2KMT2A
SCHEMBL4726285 0.80 PKM (0.48) MAPTLMNADRD3HTTCNR2
SCHEMBL4729520 0.80 MOGAT2 (0.44) LMNADRD3UBE2NHTTCNR2
SCHEMBL4729823 0.80 DRD3 (0.49) MAPTLMNADRD3ALDH1A1HTT

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