SCHEMBL5319290

SCHEMBL5319290

COc1cccc2[nH]cc(C(C)(CC(N)=O)c3ccncc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
HTR2B P41595 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR5A P47898 1/20 0.39
KIF20A O95235 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
KCNA5 P22460 1/20 0.37
HTR6 P50406 1/20 0.37
HTR2C P28335 1/20 0.37
ADRB2 P07550 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5230865 0.74 HTR2A (0.41) HTR2AMTNR1AMTNR1BSCN5ASCN2A
SCHEMBL2202824 0.69 KMT2A (0.46) KDM4EALDH1A1MAPT
SCHEMBL5102654 0.67 HTR2A (0.52) HTR2AMTNR1AMTNR1BSCN5ASCN2A
SCHEMBL5319293 0.67 HTR2A (0.40) HTR2AMTNR1AMTNR1BSCN5ASCN2A
SCHEMBL31181454 0.66 HTR2A (0.46) HTR2AMTNR1AMTNR1BSCN5ASCN2A
SCHEMBL2072816 0.66 MTNR1A (0.43) HTR2AMTNR1AMTNR1BHTR2BHTR1A
SCHEMBL25586110 0.66 JAK2 (0.46) HTR2AMTNR1AMTNR1BKIF20ACLK1
SCHEMBL11545107 0.66 MTNR1A (0.56) HTR2AMTNR1AMTNR1BHTR2BKIF20A
SCHEMBL13451628 0.65 MTNR1A (0.42) HTR2AMTNR1AMTNR1BHTR2BHTR1A
SCHEMBL2072930 0.65 MTNR1A (0.43) HTR2AMTNR1AMTNR1BHTR2BHTR1A

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
EP-1756054-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
WO-2005118539-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 WO disclosed