SCHEMBL2011075

SCHEMBL2011075

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1c(C)nn2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.62
HCRTR2 O43614 2/20 0.62
STING1 Q86WV6 8/20 0.37
SMYD3 Q9H7B4 3/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2012675 0.87 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2014386 0.83 HCRTR1 (0.42) HCRTR1HCRTR2NPC1RAB9AKMT2A
SCHEMBL2011420 0.80 HCRTR1 (0.65) HCRTR1HCRTR2STING1SMYD3
SCHEMBL2051392 0.79 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2013146 0.79 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2013557 0.79 HCRTR1 (0.64) HCRTR1HCRTR2STING1SMYD3L3MBTL1
SCHEMBL2012845 0.79 HCRTR1 (0.64) HCRTR1HCRTR2STING1SMYD3L3MBTL1
SCHEMBL2053609 0.79 HCRTR1 (0.64) HCRTR1HCRTR2STING1SMYD3L3MBTL1
SCHEMBL2012295 0.79 HCRTR1 (0.63) HCRTR1HCRTR2STING1SMYD3NPC1
SCHEMBL2017389 0.79 HCRTR1 (0.41) HCRTR1HCRTR2NPC1RAB9A

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