SCHEMBL6875769

SCHEMBL6875769

CN(C)c1nc(N[C@H]2CC[C@@H](CN(Cc3ccccc3Cl)C(=O)O)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
MCHR1 Q99705 12/20 0.41
ADRA2A P08913 10/20 0.41
NPY5R Q15761 3/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
HRH1 P35367 2/20 0.36
HTR2B P41595 2/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL6875777 1.00 L3MBTL1 (0.45) L3MBTL1GAAMCHR1ADRA2ANPY5R
SCHEMBL6866911 0.89 HDAC1 (0.42) MCHR1ADRA2ANPY5RTAS2R14HRH1
SCHEMBL6866914 0.89 HDAC1 (0.42) MCHR1ADRA2ANPY5RTAS2R14HRH1
SCHEMBL6877577 0.82 MCHR1 (0.38) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6877568 0.82 MCHR1 (0.38) MCHR1ADRA2ANPY5RHRH1HTR2B
SCHEMBL6878854 0.81 GAA (0.45) L3MBTL1GAAMCHR1ADRA2ANPY5R
SCHEMBL6878857 0.81 GAA (0.45) L3MBTL1GAAMCHR1ADRA2ANPY5R
SCHEMBL6875896 0.81 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875905 0.81 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875886 0.81 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A

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