SCHEMBL2011420

SCHEMBL2011420

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1cc(OC)nc(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.65
HCRTR2 O43614 2/20 0.65
STING1 Q86WV6 16/20 0.41
IRF3 Q14653 1/20 0.41
SMYD3 Q9H7B4 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL2014557 0.98 HCRTR1 (0.62) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2013557 0.93 HCRTR1 (0.64) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2054242 0.90 HCRTR1 (0.61) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2014489 0.90 HCRTR1 (0.61) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2012845 0.88 HCRTR1 (0.64) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2053609 0.88 HCRTR1 (0.64) HCRTR1HCRTR2STING1IRF3SMYD3
SCHEMBL2014960 0.84 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL6919067 0.84 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL2054319 0.84 HCRTR1 (0.64) HCRTR1HCRTR2OPRM1OPRK1
SCHEMBL2016237 0.84 HCRTR1 (0.64) HCRTR1HCRTR2OPRM1OPRK1

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