SCHEMBL2015167

SCHEMBL2015167

CN(C(=O)OC(C)(C)C)[C@H](CCNC(=O)c1nc2ccccc2n1C)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MAPT P10636 2/20 0.39
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 2/20 0.38
HTT P42858 1/20 0.38
GCGR P47871 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KLK5 Q9Y337 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL13138972 0.85 HCRTR1 (0.50) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR
SCHEMBL13139051 0.82 HCRTR1 (0.47) HCRTR1HCRTR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL13138975 0.81 HCRTR1 (0.50) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR
SCHEMBL13138950 0.81 HCRTR1 (0.43) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR
SCHEMBL13138945 0.80 HCRTR1 (0.45) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR
SCHEMBL2013196 0.80 HCRTR1 (0.42) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR
SCHEMBL13139031 0.80 HCRTR1 (0.57) HCRTR1HCRTR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL13139038 0.80 HCRTR1 (0.48) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR
SCHEMBL13139073 0.79 HCRTR1 (0.53) HCRTR1HCRTR2MAPTSMN1; SMN2LMNA
SCHEMBL2012684 0.79 HCRTR1 (0.42) HCRTR1HCRTR2MAPTSMN1; SMN2TSHR

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 disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed