SCHEMBL6872140

SCHEMBL6872140

CN(C)c1nc(NC2CCC(NC(=S)NCc3cccc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.41
ADRA2A P08913 12/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
NPY5R Q15761 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
SCHEMBL6872137 1.00 MCHR1 (0.41) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6876284 0.90 MEN1 (0.42) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6876280 0.90 MEN1 (0.42) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6877441 0.89 GAA (0.47) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6867662 0.89 MEN1 (0.54) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6867670 0.89 MEN1 (0.54) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6877436 0.89 GAA (0.47) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL7044564 0.88 BCHE (0.46) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL7044566 0.88 BCHE (0.46) MCHR1ADRA2AMEN1KMT2ALMNA
SCHEMBL6876780 0.87 KMT2A (0.58) MCHR1ADRA2AMEN1KMT2ALMNA

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