SCHEMBL2014566

SCHEMBL2014566

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1nccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.64
HCRTR2 O43614 2/20 0.64
RAB9A P51151 1/20 0.43
SMYD3 Q9H7B4 3/20 0.39
CCR1 P32246 1/20 0.38
STING1 Q86WV6 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35

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
SCHEMBL2054138 1.00 HCRTR1 (0.64) HCRTR1HCRTR2RAB9ASMYD3CCR1
SCHEMBL2014186 0.84 HCRTR1 (0.60) HCRTR1HCRTR2RAB9ACCR1ITGB1
SCHEMBL2013656 0.84 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3CCR1STING1
SCHEMBL2011420 0.81 HCRTR1 (0.65) HCRTR1HCRTR2SMYD3STING1
SCHEMBL2051392 0.81 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2013146 0.81 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2012845 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1L3MBTL1
SCHEMBL2053609 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1L3MBTL1
SCHEMBL2013557 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3STING1L3MBTL1
SCHEMBL2013624 0.81 HCRTR1 (0.60) 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