SCHEMBL6869396

SCHEMBL6869396

CC(C)c1ccccc1NC(=S)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
MCHR1 Q99705 4/20 0.38
ADRA2A P08913 3/20 0.38
LMNA P02545 3/20 0.38
ALOX12 P18054 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA1A P35348 1/20 0.37
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
SCHEMBL6869391 1.00 GLA (0.46) GLAMCHR1ADRA2ALMNAALOX12
SCHEMBL6873520 0.90 ALOX12 (0.39) GLAMCHR1ADRA2AALOX12ALDH1A1
SCHEMBL6873099 0.89 MCHR1 (0.41) MCHR1ADRA2AHTTMEN1KMT2A
SCHEMBL6873095 0.89 MCHR1 (0.41) MCHR1ADRA2AHTTMEN1KMT2A
SCHEMBL6866523 0.89 GAA (0.45) MCHR1ADRA2ALMNAALOX12GAA
SCHEMBL6866519 0.89 GAA (0.45) MCHR1ADRA2ALMNAALOX12GAA
SCHEMBL6880771 0.88 ALOX12 (0.44) MCHR1ADRA2ALMNAALOX12GAA
SCHEMBL6880766 0.88 ALOX12 (0.44) MCHR1ADRA2ALMNAALOX12GAA
SCHEMBL6877748 0.87 MCHR1 (0.46) MCHR1ADRA2ALMNAALOX12GAA
SCHEMBL6877751 0.87 MCHR1 (0.46) MCHR1ADRA2ALMNAALOX12GAA

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