SCHEMBL6874010

SCHEMBL6874010

CN(C)c1ccc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.40
ADRA2A P08913 5/20 0.40
NPY5R Q15761 2/20 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
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.35
FLT3 P36888 2/20 0.35
TYRO3 Q06418 2/20 0.35
MERTK Q12866 2/20 0.35
GAS6 Q14393 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 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
SCHEMBL6874002 1.00 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6880495 0.92 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6463280 0.92 MCHR1 (0.38) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878470 0.92 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6878464 0.92 MCHR1 (0.40) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876551 0.92 ALDH1A1 (0.46) MCHR1ADRA2ANPY5RHTR2BADRA1A
SCHEMBL6876546 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

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