SCHEMBL2013624

SCHEMBL2013624

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1cc2ccoc2cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.60
HCRTR2 O43614 2/20 0.60
SMYD3 Q9H7B4 2/20 0.36
MAPT P10636 2/20 0.36
CHRNA7 P36544 2/20 0.34
STING1 Q86WV6 8/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
KLKB1 P03952 1/20 0.33
IRF3 Q14653 1/20 0.33

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
SCHEMBL2015866 0.86 HCRTR1 (0.59) HCRTR1HCRTR2CHRNA7HTR3EHTR3B
SCHEMBL2011853 0.86 HCRTR1 (0.59) HCRTR1HCRTR2SMYD3MAPTSTING1
SCHEMBL6917571 0.83 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3MAPTSTING1
SCHEMBL2012511 0.83 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3MAPTSTING1
SCHEMBL2013146 0.81 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3
SCHEMBL2014566 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3MAPTSTING1
SCHEMBL2054138 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3MAPTSTING1
SCHEMBL2051392 0.81 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3
SCHEMBL2014719 0.80 HCRTR1 (0.60) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2011420 0.80 HCRTR1 (0.65) HCRTR1HCRTR2SMYD3STING1IRF3

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-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO claimed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed