SCHEMBL2013557

SCHEMBL2013557

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1nc(OC)cc(OC)n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.64
HCRTR2 O43614 2/20 0.64
STING1 Q86WV6 13/20 0.39
IRF3 Q14653 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CTSA P10619 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2011420 0.93 HCRTR1 (0.65) HCRTR1HCRTR2STING1IRF3OPRM1
SCHEMBL2014557 0.92 HCRTR1 (0.62) HCRTR1HCRTR2STING1IRF3OPRM1
SCHEMBL2054242 0.85 HCRTR1 (0.61) HCRTR1HCRTR2STING1IRF3MAPT
SCHEMBL2014489 0.85 HCRTR1 (0.61) HCRTR1HCRTR2STING1IRF3MAPT
SCHEMBL2016685 0.85 HCRTR1 (0.66) HCRTR1HCRTR2OPRM1OPRK1
SCHEMBL2053609 0.84 HCRTR1 (0.64) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2012845 0.84 HCRTR1 (0.64) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2014566 0.81 HCRTR1 (0.64) HCRTR1HCRTR2STING1MAPTSMYD3
SCHEMBL2054138 0.81 HCRTR1 (0.64) HCRTR1HCRTR2STING1MAPTSMYD3
SCHEMBL2013656 0.81 HCRTR1 (0.66) HCRTR1HCRTR2STING1IRF3MAPT

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