SCHEMBL2013656

SCHEMBL2013656

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1cncc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.66
HCRTR2 O43614 2/20 0.66
CCR1 P32246 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
STING1 Q86WV6 9/20 0.35
IRF3 Q14653 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2014804 0.84 HCRTR1 (0.58) HCRTR1HCRTR2CCR1ALDH1A1MEN1
SCHEMBL2013146 0.84 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2014566 0.84 HCRTR1 (0.64) HCRTR1HCRTR2CCR1SMYD3STING1
SCHEMBL2051392 0.84 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2054138 0.84 HCRTR1 (0.64) HCRTR1HCRTR2CCR1SMYD3STING1
SCHEMBL2011420 0.81 HCRTR1 (0.65) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2012845 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2013557 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2053609 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1IRF3
SCHEMBL2012511 0.81 HCRTR1 (0.64) 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