SCHEMBL2013191

SCHEMBL2013191

CN(C(=O)c1cccc2occc12)C(CCNC(=O)c1nc2ccccc2n1C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 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
SCHEMBL6917383 1.00 HCRTR1 (0.40) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL2016670 0.91 HCRTR1 (0.40) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL6918283 0.91 HCRTR1 (0.40) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL13138950 0.89 HCRTR1 (0.43) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL6919279 0.86 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL13138938 0.84 HCRTR1 (0.40) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL2015176 0.84 HCRTR1 (0.40) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL13138972 0.83 HCRTR1 (0.50) HCRTR1HCRTR2SMN1; SMN2HPGDTSHR
SCHEMBL13138955 0.83 GAA (0.42) HCRTR1HCRTR2SMN1; SMN2TSHRNPC1
SCHEMBL13138957 0.83 C5AR1 (0.41) HCRTR1HCRTR2SMN1; SMN2NPC1TP53

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