SCHEMBL6873607

SCHEMBL6873607

COc1ccc(Cl)cc1CNCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.45
MCHR1 Q99705 5/20 0.45
ADRA2A P08913 3/20 0.45
APP P05067 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
TACR1 P25103 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL6873598 1.00 NPY5R (0.45) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874665 0.93 NPY5R (0.49) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874670 0.93 NPY5R (0.49) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6868105 0.91 MCHR1 (0.48) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6873885 0.91 MCHR1 (0.46) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6868098 0.91 MCHR1 (0.48) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6873877 0.91 MCHR1 (0.46) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874567 0.90 MCHR1 (0.54) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874559 0.90 MCHR1 (0.54) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874117 0.90 MCHR1 (0.45) NPY5RMCHR1ADRA2ALMNATP53

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