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SCHEMBL2013146

SCHEMBL2013146

CCn1nc(C)cc1C(=O)NCCC(Cc1ccccc1)N(C)C(=O)c1coc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.66
▸ HCRTR2 O43614 2/20 0.66
▸ MAOB P27338 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL2051392 1.00 HCRTR1 (0.66) HCRTR1HCRTR2MAOBSMYD3PTGDR2
SCHEMBL2013656 0.84 HCRTR1 (0.66) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2014119 0.83 HCRTR1 (0.59) HCRTR1HCRTR2MAOBKMT2A
SCHEMBL2012511 0.82 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3
SCHEMBL6917571 0.82 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3
SCHEMBL2013937 0.81 HCRTR1 (0.43) HCRTR1HCRTR2MAOBPTGDR2KMT2A
SCHEMBL2054334 0.81 HCRTR1 (0.43) HCRTR1HCRTR2MAOBPTGDR2KMT2A
SCHEMBL2014566 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2054138 0.81 HCRTR1 (0.64) HCRTR1HCRTR2SMYD3KMT2A
SCHEMBL2013624 0.81 HCRTR1 (0.60) HCRTR1HCRTR2SMYD3

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