SCHEMBL4725451

SCHEMBL4725451

CCN1CCOC(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
DRD3 P35462 3/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX12 P18054 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.41
TOP2A P11388 1/20 0.39
CNR2 P34972 2/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL4725656 0.88 KMT2A (0.45) MAPTPOLBDRD3LMNAALDH1A1
SCHEMBL4727679 0.85 ALDH1A1 (0.48) MAPTGAATSHRDRD3LMNA
SCHEMBL4725768 0.85 MAPT (0.51) MAPTGAATSHRDRD3LMNA
SCHEMBL4729823 0.83 DRD3 (0.49) MAPTGAADRD3LMNAALDH1A1
SCHEMBL4727604 0.83 MEN1 (0.47) MAPTTSHRDRD3LMNAALDH1A1
SCHEMBL4726498 0.82 ALDH1A1 (0.44) MAPTPOLBDRD3LMNAALDH1A1
SCHEMBL4727053 0.82 LMNA (0.52) MAPTGAATSHRLMNANPSR1
SCHEMBL4726285 0.82 PKM (0.48) MAPTDRD3LMNATP53CNR2
SCHEMBL4729520 0.82 MOGAT2 (0.44) DRD3LMNACNR2SMN1; SMN2MGAT2
SCHEMBL4725665 0.82 GHSR (0.44) MAPTDRD3LMNACNR2CA1

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