SCHEMBL6878784

SCHEMBL6878784

CN(C)c1ccc(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.39
FLT3 P36888 2/20 0.38
TYRO3 Q06418 2/20 0.38
MERTK Q12866 2/20 0.38
GAS6 Q14393 2/20 0.38
DRD2 P14416 1/20 0.38
ACHE P22303 6/20 0.38
BACE1 P56817 4/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
NPY5R Q15761 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 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
SCHEMBL6878788 1.00 MCHR1 (0.39) MCHR1FLT3TYRO3MERTKGAS6
SCHEMBL6457041 0.92 MCHR1 (0.37) MCHR1FLT3TYRO3MERTKGAS6
SCHEMBL6874127 0.92 MCHR1 (0.37) MCHR1FLT3TYRO3MERTKGAS6
SCHEMBL6876987 0.91 ACHE (0.46) MCHR1FLT3TYRO3MERTKGAS6
SCHEMBL6876992 0.91 ACHE (0.46) MCHR1FLT3TYRO3MERTKGAS6
SCHEMBL6868799 0.90 ACHE (0.46) MCHR1DRD2ACHEBACE1MAPK8
SCHEMBL6868802 0.90 ACHE (0.46) MCHR1DRD2ACHEBACE1MAPK8
SCHEMBL6875798 0.89 ACHE (0.48) MCHR1DRD2ACHEBACE1JAK3
SCHEMBL6875802 0.89 ACHE (0.48) MCHR1DRD2ACHEBACE1JAK3
SCHEMBL6461596 0.87 DRD2 (0.35) MCHR1FLT3TYRO3MERTKGAS6

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