SCHEMBL6874665

SCHEMBL6874665

COc1cc(Cl)ccc1CNC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.49
MCHR1 Q99705 7/20 0.49
ADRA2A P08913 5/20 0.49
GRK6 P43250 1/20 0.40
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
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
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 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
SCHEMBL6874670 1.00 NPY5R (0.49) NPY5RMCHR1ADRA2AGRK6APP
SCHEMBL6873607 0.93 NPY5R (0.45) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6873598 0.93 NPY5R (0.45) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6873090 0.90 MCHR1 (0.47) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6873084 0.90 MCHR1 (0.47) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874814 0.89 MCHR1 (0.49) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6462424 0.89 MCHR1 (0.49) NPY5RMCHR1ADRA2AAPPBCHE
SCHEMBL6874117 0.88 MCHR1 (0.45) NPY5RMCHR1ADRA2ATYRO3LMNA
SCHEMBL6874121 0.88 MCHR1 (0.45) NPY5RMCHR1ADRA2ATYRO3LMNA
SCHEMBL6875587 0.87 MCHR1 (0.49) NPY5RMCHR1ADRA2AAPPBCHE

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