SCHEMBL4970084

SCHEMBL4970084

CC(C)(Cc1ccccc1)N(C(=O)C1CC1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR2 P34972 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM3 P20309 3/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
PDK2 Q15119 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACHE P22303 1/20 0.38
AGER Q15109 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37

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
SCHEMBL4969869 0.72 HTT (0.63) HTTMEN1KMT2ACNR2CHRM2
SCHEMBL4962348 0.70 HTT (0.43) HTTPPARGPPARAMEN1KMT2A
SCHEMBL3916812 0.68 PDK2 (0.59) HTTCNR2PDK2
SCHEMBL4961925 0.68 CNR2 (0.47) HTTMEN1KMT2ACNR2LMNA
SCHEMBL4964791 0.68 CHRM2 (0.78) MEN1KMT2ACHRM2CHRM3
SCHEMBL4963412 0.67 HTT (0.55) HTTMEN1KMT2ACNR2SMN1; SMN2
SCHEMBL5342032 0.67 HTT (0.54) HTTMEN1KMT2ACHRM2CHRM3
SCHEMBL5305249 0.66 CNR2 (0.51) HTTCNR2LMNAPDK2NR1H4
SCHEMBL18231877 0.66 MEN1 (0.48) HTTMEN1KMT2APKMSMN1; SMN2
SCHEMBL27771335 0.65 CNR2 (0.44) HTTMEN1KMT2ACNR2SMN1; 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-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed