SCHEMBL4003534

SCHEMBL4003534

O=C(C1CCCCC1)N(c1ccc(Cl)cc1)[C@@]1(S(=O)(=O)c2ccccc2)CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.37
PSEN2 P49810 6/20 0.37
APH1B Q8WW43 6/20 0.37
NCSTN Q92542 6/20 0.37
APH1A Q96BI3 6/20 0.37
PSENEN Q9NZ42 6/20 0.37
CNR2 P34972 1/20 0.36
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.31

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
SCHEMBL4966357 0.96 ITGB1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4962892 0.90 MMP1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4971033 0.90 MMP1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4010736 0.83 HSD11B1 (0.38) CNR2
SCHEMBL4005230 0.81 ALDH1A1 (0.38) ITGB1ITGA4ITGB7GAAALDH1A1
SCHEMBL4964632 0.77 CAMK2A (0.39) GAAL3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL4003682 0.77 HSD11B1 (0.37) ITGB1ITGA4ITGB7
SCHEMBL4963845 0.72 ALDH1A1 (0.38) GAAALDH1A1
SCHEMBL4006598 0.69 NPSR1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4306297 0.69 HSD11B1 (0.44) SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed