SCHEMBL6875309

SCHEMBL6875309

CN(C)c1ccnc(NC2CCC(CNC(=O)c3csc4ccccc34)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
MAPK14 Q16539 1/20 0.44
ADRA2A P08913 3/20 0.43
NPY5R Q15761 3/20 0.43
ADRA1A P35348 2/20 0.42
HTR2B P41595 2/20 0.42
HRH1 P35367 1/20 0.42
HTR1A P08908 2/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL6875303 1.00 MCHR1 (0.47) MCHR1MAPK14ADRA2ANPY5RADRA1A
SCHEMBL6878290 0.88 MCHR1 (0.46) MCHR1MAPK14ADRA2ANPY5RADRA1A
SCHEMBL6878280 0.88 MCHR1 (0.46) MCHR1MAPK14ADRA2ANPY5RADRA1A
SCHEMBL6458031 0.86 HTR1A (0.44) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6458026 0.86 HTR1A (0.44) MCHR1MAPK14ADRA2AADRA1AHTR2B
SCHEMBL6875679 0.83 MCHR1 (0.51) MCHR1MAPK14ADRA2ANPY5RADRA1A
SCHEMBL6875684 0.83 MCHR1 (0.51) MCHR1MAPK14ADRA2ANPY5RADRA1A
SCHEMBL6873958 0.83 HTR1A (0.47) MCHR1MAPK14ADRA2ANPY5RHTR1A
SCHEMBL6873963 0.83 HTR1A (0.47) MCHR1MAPK14ADRA2ANPY5RHTR1A
SCHEMBL6880535 0.83 MCHR1 (0.48) 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