SCHEMBL6877165

SCHEMBL6877165

COc1cc(CN(C[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)C(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
ADRA2A P08913 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
CTSD P07339 1/20 0.35
APP P05067 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
NPY5R Q15761 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
PDE10A Q9Y233 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL6877170 1.00 MCHR1 (0.38) MCHR1ADRA2ASMN1; SMN2LMNAHPGD
SCHEMBL6873185 0.84 MCHR1 (0.43) MCHR1ADRA2ASMN1; SMN2LMNAMAPT
SCHEMBL6873180 0.84 MCHR1 (0.43) MCHR1ADRA2ASMN1; SMN2LMNAMAPT
SCHEMBL6873170 0.84 MCHR1 (0.43) MCHR1ADRA2ASMN1; SMN2LMNAMAPT
SCHEMBL6878524 0.81 MCHR1 (0.42) MCHR1ADRA2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6878517 0.81 MCHR1 (0.42) MCHR1ADRA2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6462958 0.80 MCHR1 (0.42) MCHR1ADRA2ASMN1; SMN2LMNARAB9A
SCHEMBL6462961 0.80 MCHR1 (0.42) MCHR1ADRA2ASMN1; SMN2LMNARAB9A
SCHEMBL6874734 0.79 LMNA (0.36) MCHR1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL6874724 0.79 LMNA (0.36) MCHR1SMN1; SMN2LMNAHPGDRAB9A

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