SCHEMBL4725306

SCHEMBL4725306

CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MAPT P10636 5/20 0.49
HPGD P15428 2/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 4/20 0.46
ALOX12 P18054 1/20 0.45
DRD3 P35462 1/20 0.44
NLRP3 Q96P20 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4725768 0.87 MAPT (0.51) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4728012 0.86 CES1 (0.48) MAPTALDH1A1LMNASMN1; SMN2DRD3
SCHEMBL4727610 0.86 UCHL1 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4729811 0.86 ALDH1A1 (0.50) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4726510 0.86 CNR2 (0.49) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL4728036 0.84 DRD3 (0.42) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4726548 0.84 CRHBP (0.48) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4725454 0.84 DRD3 (0.57) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL4730511 0.84 FFAR1 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4728980 0.84 DRD3 (0.42) POLBMAPTMEN1KMT2AALDH1A1

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