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SCHEMBL2014646

SCHEMBL2014646

Cc1nc2sccn2c1C(=O)N(C)C(CCNC(=O)c1cccn1C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.56
▸ HCRTR2 O43614 2/20 0.56
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NLRP3 Q96P20 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL13138964 0.86 HCRTR1 (0.48) HCRTR1HCRTR2NLRP3POLB
SCHEMBL2011001 0.86 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9APOLB
SCHEMBL2013002 0.86 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2014627 0.85 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9ANLRP3
SCHEMBL6918074 0.85 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9ANLRP3
SCHEMBL2013021 0.85 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9APOLB
SCHEMBL2017397 0.83 HCRTR1 (0.57) HCRTR1HCRTR2NPC1RAB9ANLRP3
SCHEMBL2010539 0.81 HCRTR1 (0.63) HCRTR1HCRTR2NPC1RAB9APOLB
SCHEMBL2013001 0.80 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL13139060 0.80 HCRTR1 (0.77) 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