SCHEMBL6878656

SCHEMBL6878656

Cc1c(NC(=O)NC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPY5R Q15761 1/20 0.42
MCHR1 Q99705 8/20 0.41
ADRA2A P08913 3/20 0.40
ADRA1A P35348 2/20 0.40
HTR2B P41595 2/20 0.40
HRH1 P35367 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 3/20 0.38
HTR1A P08908 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL6878661 1.00 KMT2A (0.46) KMT2ANPY5RMCHR1ADRA2AADRA1A
SCHEMBL6874130 0.90 MCHR1 (0.41) KMT2ANPY5RMCHR1ADRA2AADRA1A
SCHEMBL6874137 0.90 MCHR1 (0.41) KMT2ANPY5RMCHR1ADRA2AADRA1A
SCHEMBL6867217 0.90 KMT2A (0.59) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6867214 0.90 KMT2A (0.59) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6458297 0.87 TP53 (0.46) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6458303 0.87 TP53 (0.46) KMT2AMCHR1ADRA2AADRA1AHTR2B
SCHEMBL6464745 0.87 MCHR1 (0.40) KMT2ANPY5RMCHR1ADRA2AADRA1A
SCHEMBL6464739 0.87 MCHR1 (0.40) KMT2ANPY5RMCHR1ADRA2AADRA1A
SCHEMBL6878369 0.86 MCHR1 (0.44) KMT2ANPY5RMCHR1ADRA2AADRA1A

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