SCHEMBL6880533

SCHEMBL6880533

Cc1cccc(C)c1NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.53
MCHR1 Q99705 11/20 0.41
ADRA2A P08913 9/20 0.41
HRH1 P35367 4/20 0.41
HTR2B P41595 4/20 0.41
ADRA1A P35348 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CACNA1B Q00975 2/20 0.40
APBA1 Q02410 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX1 P07099 1/20 0.37

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
SCHEMBL6880536 1.00 ALOX12 (0.53) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880771 0.92 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6878065 0.92 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6878068 0.92 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880766 0.92 ALOX12 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880185 0.90 ALDH1A1 (0.42) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6869001 0.90 MCHR1 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6869008 0.90 MCHR1 (0.44) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6880188 0.90 ALDH1A1 (0.42) ALOX12MCHR1ADRA2AHRH1HTR2B
SCHEMBL6876814 0.90 GAA (0.55) ALOX12MCHR1ADRA2AHRH1HTR2B

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