SCHEMBL6869211

SCHEMBL6869211

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)c3ccccc3I)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.48
ADRA2A P08913 3/20 0.45
ADRA1A P35348 2/20 0.45
HTR2B P41595 2/20 0.45
HRH1 P35367 1/20 0.45
HTR1A P08908 1/20 0.43
NPY5R Q15761 2/20 0.42
NAPEPLD Q6IQ20 1/20 0.40
MAPK8 P45983 2/20 0.40
BTK Q06187 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FLT3 P36888 2/20 0.39
TYRO3 Q06418 2/20 0.39
MERTK Q12866 2/20 0.39
GAS6 Q14393 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 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
SCHEMBL6869215 1.00 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875684 0.89 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875679 0.89 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880535 0.89 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880528 0.89 MCHR1 (0.48) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878166 0.86 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878155 0.86 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878353 0.86 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878345 0.86 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6458724 0.85 MCHR1 (0.45) 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