SCHEMBL6875830

SCHEMBL6875830

CN(C)c1cc(NC2CCC(CNCc3cccc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.48
ADRA2A P08913 2/20 0.43
CXCR4 P61073 2/20 0.43
NPY5R Q15761 4/20 0.42
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 4/20 0.41
HTR6 P50406 4/20 0.41
APP P05067 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VCP P55072 1/20 0.39
PDE5A O76074 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL6875826 1.00 MCHR1 (0.48) MCHR1ADRA2ACXCR4NPY5RMEN1
SCHEMBL6874914 0.93 MCHR1 (0.49) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6874906 0.93 MCHR1 (0.49) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6873125 0.91 MCHR1 (0.49) MCHR1ADRA2ACXCR4NPY5RMEN1
SCHEMBL6873131 0.91 MCHR1 (0.49) MCHR1ADRA2ACXCR4NPY5RMEN1
SCHEMBL6874877 0.90 MCHR1 (0.49) MCHR1ADRA2ACXCR4NPY5RMEN1
SCHEMBL6874880 0.90 MCHR1 (0.49) MCHR1ADRA2ACXCR4NPY5RMEN1
SCHEMBL6876570 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6876564 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RMEN1KMT2A
SCHEMBL6879036 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RMEN1KMT2A

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