SCHEMBL6877441

SCHEMBL6877441

CN(C)c1nc(NC2CCC(NC(=S)NCc3ccccc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
HPGD P15428 1/20 0.41
MCHR1 Q99705 5/20 0.40
ADRA2A P08913 4/20 0.40
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.38
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6877436 1.00 GAA (0.47) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL6876284 0.91 MEN1 (0.42) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL6876280 0.91 MEN1 (0.42) GAAL3MBTL1MEN1KMT2ALMNA
SCHEMBL6872487 0.90 ALOX12 (0.56) L3MBTL1MEN1KMT2ALMNAALDH1A1
SCHEMBL6867662 0.89 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1MCHR1
SCHEMBL6459476 0.89 GAA (0.47) GAAL3MBTL1MAPTMCHR1ADRA2A
SCHEMBL6459471 0.89 GAA (0.47) GAAL3MBTL1MAPTMCHR1ADRA2A
SCHEMBL6867670 0.89 MEN1 (0.54) MEN1KMT2ALMNAALDH1A1MCHR1
SCHEMBL6872137 0.89 MCHR1 (0.41) MEN1KMT2ALMNAMCHR1ADRA2A
SCHEMBL6872140 0.89 MCHR1 (0.41) MEN1KMT2ALMNAMCHR1ADRA2A

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed