SCHEMBL6869288

SCHEMBL6869288

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MCHR1 Q99705 13/20 0.45
ADRA2A P08913 12/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.40
HRH1 P35367 3/20 0.38
HTR2B P41595 3/20 0.38
ADRA1A P35348 2/20 0.38
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6869284 1.00 KMT2A (0.47) KMT2AMCHR1ADRA2AALDH1A1GAA
SCHEMBL6867214 0.92 KMT2A (0.59) KMT2AMCHR1ADRA2AALDH1A1GAA
SCHEMBL6867217 0.92 KMT2A (0.59) KMT2AMCHR1ADRA2AALDH1A1GAA
SCHEMBL6875065 0.89 MCHR1 (0.42) KMT2AMCHR1ADRA2AALDH1A1SMN1; SMN2
SCHEMBL6875058 0.89 MCHR1 (0.42) KMT2AMCHR1ADRA2AALDH1A1SMN1; SMN2
SCHEMBL6867278 0.88 ALDH1A1 (0.43) KMT2AMCHR1ADRA2AALDH1A1MAPT
SCHEMBL6876996 0.88 MCHR1 (0.42) KMT2AMCHR1ADRA2AALDH1A1GAA
SCHEMBL6867788 0.88 MCHR1 (0.42) KMT2AMCHR1ADRA2AALDH1A1SMN1; SMN2
SCHEMBL6867273 0.88 ALDH1A1 (0.43) KMT2AMCHR1ADRA2AALDH1A1MAPT
SCHEMBL6876990 0.88 MCHR1 (0.42) KMT2AMCHR1ADRA2AALDH1A1GAA

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