SCHEMBL4778138

SCHEMBL4778138

CCCCOc1ccc(S(=O)(=O)Nc2ccc(C3CN(CC)CCO3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 5/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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 0.86 MAPT (0.51) LMNASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL4728262 0.85 DRD2 (0.46) LMNASMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL4730511 0.85 FFAR1 (0.44) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4727610 0.85 UCHL1 (0.51) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4728012 0.85 CES1 (0.48) LMNASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4729811 0.85 ALDH1A1 (0.50) LMNAALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL4726510 0.84 CNR2 (0.49) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL4728036 0.83 DRD3 (0.42) LMNASMN1; SMN2ALDH1A1GLAMAPT
SCHEMBL4726548 0.83 CRHBP (0.48) LMNASMN1; SMN2ALDH1A1MAPTCYP1A2
SCHEMBL4725454 0.83 DRD3 (0.57) LMNASMN1; SMN2ALDH1A1MAPTKMT2A

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