SCHEMBL6880466

SCHEMBL6880466

CN(C)c1nc(NC2CCC(CNC(=O)c3cccs3)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
ADRA2A P08913 3/20 0.46
ADRA1A P35348 2/20 0.46
HTR2B P41595 2/20 0.46
HRH1 P35367 1/20 0.46
HPGD P15428 1/20 0.45
HTR1A P08908 1/20 0.44
NPY5R Q15761 1/20 0.42
MAPK14 Q16539 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL6880462 1.00 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL27652861 0.88 HPGD (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL27652859 0.88 HPGD (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878427 0.88 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878431 0.88 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872761 0.86 HSD17B10 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872768 0.86 HSD17B10 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873487 0.85 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873490 0.85 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462945 0.85 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1

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