SCHEMBL6877751

SCHEMBL6877751

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccccc3F)CC2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
ADRA2A P08913 5/20 0.42
ADRA1A P35348 2/20 0.42
HRH1 P35367 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
NPY5R Q15761 1/20 0.42
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6877748 1.00 MCHR1 (0.46) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6866519 0.90 GAA (0.45) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6866523 0.90 GAA (0.45) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6869008 0.90 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6869001 0.90 MCHR1 (0.44) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6866736 0.89 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6866729 0.89 MCHR1 (0.42) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6868714 0.89 MCHR1 (0.40) MCHR1ADRA2ALMNAGAAALOX12
SCHEMBL6868723 0.89 MCHR1 (0.40) MCHR1ADRA2ALMNAGAAALOX12
SCHEMBL6872712 0.89 ALDH1A1 (0.52) MCHR1ADRA2AHRH1HTR2BLMNA

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