SCHEMBL6878464

SCHEMBL6878464

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3ccc(O)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.40
ADRA2A P08913 4/20 0.40
NPY5R Q15761 1/20 0.40
HTR2B P41595 3/20 0.39
ADRA1A P35348 2/20 0.39
HRH1 P35367 2/20 0.39
HTR1A P08908 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CXCR4 P61073 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34

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
SCHEMBL6878470 1.00 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874002 0.92 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876546 0.92 ALDH1A1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6874010 0.92 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876551 0.92 ALDH1A1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6879806 0.91 L3MBTL1 (0.47) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6879811 0.91 L3MBTL1 (0.47) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6877742 0.89 ALDH1A1 (0.45) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6877746 0.89 ALDH1A1 (0.45) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6463280 0.88 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR2BADRA1A

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