SCHEMBL2012511

SCHEMBL2012511

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1cc2ccoc2nc1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.64
HCRTR2 O43614 2/20 0.64
SMYD3 Q9H7B4 2/20 0.36
STING1 Q86WV6 11/20 0.35
IRF3 Q14653 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6917571 1.00 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2011853 0.87 HCRTR1 (0.59) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2015192 0.87 HCRTR1 (0.56) HCRTR1HCRTR2MAPT
SCHEMBL2013624 0.83 HCRTR1 (0.60) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2051392 0.82 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3
SCHEMBL2013146 0.82 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3
SCHEMBL2013656 0.81 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2011420 0.80 HCRTR1 (0.65) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2014566 0.79 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1MAPT
SCHEMBL2054138 0.79 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1MAPT

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