SCHEMBL6874808

SCHEMBL6874808

CCOc1ccccc1NC(=O)N[C@H]1CC[C@@H](Nc2nc(C)c(C)c(N(C)C)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.51
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
ADRA2A P08913 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
ADRA1A P35348 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6874820 1.00 MCHR1 (0.51) MCHR1LMNAALDH1A1ALOX12ADRA2A
SCHEMBL4033750 0.86 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4033667 0.86 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6467487 0.85 TP53 (0.47) MCHR1LMNAALDH1A1ALOX12ADRA2A
SCHEMBL6467491 0.85 TP53 (0.47) MCHR1LMNAALDH1A1ALOX12ADRA2A
SCHEMBL6877186 0.81 KMT2A (0.46) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL6877173 0.81 KMT2A (0.46) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL4260723 0.78 LMNA (0.43) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL4260719 0.78 LMNA (0.43) LMNAALDH1A1ALOX12KMT2AMEN1
SCHEMBL6877520 0.78 NOX1 (0.51) MCHR1ALDH1A1ADRA2AKMT2AMEN1

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