SCHEMBL4729316

SCHEMBL4729316

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(OC)cc3OC)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TRIM24 O15164 1/20 0.45
ALPL P05186 2/20 0.44
RAB9A P51151 2/20 0.42
TP53 P04637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CNR2 P34972 1/20 0.41
DRD3 P35462 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL4725295 0.93 SMN1; SMN2 (0.55) SMN1; SMN2TRIM24ALPLTP53ALDH1A1
SCHEMBL4728553 0.91 ALPL (0.44) SMN1; SMN2ALPLTP53ALDH1A1HTT
SCHEMBL4727053 0.85 LMNA (0.52) SMN1; SMN2ALPLALDH1A1HTTNPSR1
SCHEMBL4779869 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TRIM24ALPLALDH1A1KMT2A
SCHEMBL4726021 0.84 LMNA (0.54) TRIM24ALPLTP53HTTNPSR1
SCHEMBL4726323 0.82 MAPT (0.42) SMN1; SMN2ALPLALDH1A1HTTCNR2
SCHEMBL4725656 0.81 KMT2A (0.45) SMN1; SMN2ALDH1A1HTTCNR2DRD3
SCHEMBL4727679 0.81 ALDH1A1 (0.48) SMN1; SMN2TP53ALDH1A1CNR2DRD3
SCHEMBL4726489 0.80 LMNA (0.47) TP53ALDH1A1HTTNPSR1KMT2A
SCHEMBL4728002 0.80 MOGAT2 (0.45) TP53CNR2DRD3

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