SCHEMBL2014285

SCHEMBL2014285

CN(C(=O)c1nc2ccccc2n1C)C(CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.40
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2013196 0.84 HCRTR1 (0.42) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL13138972 0.84 HCRTR1 (0.50) HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL13138970 0.82 KMT2A (0.55) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13138994 0.82 KMT2A (0.55) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2012684 0.82 HCRTR1 (0.42) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL13138950 0.80 HCRTR1 (0.43) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL13138975 0.80 HCRTR1 (0.50) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL2012172 0.79 HCRTR2 (0.47) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13139051 0.79 HCRTR1 (0.47) HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL2012170 0.79 HCRTR2 (0.47) EPHX2HCRTR1HCRTR2KMT2AALOX15

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 1 patent. 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