SCHEMBL6878734

SCHEMBL6878734

CCOc1ccc(OCC)c(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
ADRA2A P08913 8/20 0.43
NPY5R Q15761 4/20 0.43
ADRA1A P35348 2/20 0.37
HTR2B P41595 2/20 0.37
HRH1 P35367 1/20 0.37
HTR1A P08908 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL6460183 1.00 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6872902 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457617 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876726 0.91 MCHR1 (0.51) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876733 0.91 MCHR1 (0.51) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6879007 0.90 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878940 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457942 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873945 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457972 0.88 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B

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