SCHEMBL6876819

SCHEMBL6876819

CN(C)c1nc(NC2CCC(CNCc3ccc(N(C)C)c4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.49
ADRA2A P08913 13/20 0.49
NPY5R Q15761 5/20 0.49
ACHE P22303 3/20 0.41
TUBB3 Q13509 1/20 0.36
ADRA1A P35348 2/20 0.35
HRH1 P35367 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1A P08908 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
SCHEMBL6463203 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RACHETUBB3
SCHEMBL6457252 0.89 ADRA2A (0.51) MCHR1ADRA2ANPY5RACHETUBB3
SCHEMBL6874132 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL6874138 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL6869135 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL6869130 0.85 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL13793705 0.85 MCHR1 (0.64) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6867699 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL6867705 0.84 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEADRA1A
SCHEMBL6876052 0.84 NPY5R (0.46) MCHR1ADRA2ANPY5RACHEHTR1A

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