SCHEMBL6878411

SCHEMBL6878411

CN(C)c1nc(NC2CCC(NC(=O)/C=C/c3ccccc3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.44
ADRA2A P08913 12/20 0.44
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
NPY5R Q15761 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6878420 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6878408 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6878415 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6868800 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6868791 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6868797 0.88 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BHTR1A
SCHEMBL6878348 0.87 BCHE (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878343 0.87 BCHE (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878340 0.87 BCHE (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878346 0.87 BCHE (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A

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