SCHEMBL6868419

SCHEMBL6868419

Cc1cc(CNCC2CCC(Nc3nccc(N(C)C)n3)CC2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.41
ADRA2A P08913 4/20 0.40
ADRA1A P35348 3/20 0.40
HTR2B P41595 3/20 0.40
HRH1 P35367 2/20 0.40
HTR1A P08908 1/20 0.38
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
NPY5R Q15761 1/20 0.36
DRD2 P14416 1/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL6868413 1.00 MCHR1 (0.41) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6466329 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6466322 0.90 MCHR1 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6872857 0.88 ACHE (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463524 0.88 ACHE (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874950 0.87 MCHR1 (0.40) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874953 0.87 MCHR1 (0.40) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462635 0.87 SSTR5 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6462622 0.87 SSTR5 (0.42) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876992 0.87 ACHE (0.46) 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