SCHEMBL6869008

SCHEMBL6869008

CN(C)c1nc(NC2CCC(NC(=S)Nc3c(F)cccc3F)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.44
ALOX12 P18054 1/20 0.41
ADRA2A P08913 11/20 0.41
HRH1 P35367 4/20 0.41
HTR2B P41595 4/20 0.41
ADRA1A P35348 3/20 0.41
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6869001 1.00 MCHR1 (0.44) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6879662 0.90 MCHR1 (0.40) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6879668 0.90 MCHR1 (0.40) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6880533 0.90 ALOX12 (0.53) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6880536 0.90 ALOX12 (0.53) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6877748 0.90 MCHR1 (0.46) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6877751 0.90 MCHR1 (0.46) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6877832 0.89 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880188 0.89 ALDH1A1 (0.42) MCHR1ALOX12ADRA2AHRH1HTR2B
SCHEMBL6877825 0.89 MCHR1 (0.48) 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