SCHEMBL6868411

SCHEMBL6868411

CN(C)c1nc(N[C@H]2CC[C@@H](NCCc3ccc(Br)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.39
ADRA2A P08913 10/20 0.39
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ADRB2 P07550 1/20 0.36
HRH1 P35367 4/20 0.35
HTR2B P41595 4/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
APP P05067 1/20 0.34
ADRA1A P35348 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NPY5R Q15761 2/20 0.34
GRIN2B Q13224 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL6868414 1.00 MCHR1 (0.39) MCHR1ADRA2ALMNAL3MBTL1ALDH1A1
SCHEMBL6876555 0.88 MCHR1 (0.42) MCHR1ADRA2ALMNAL3MBTL1ALDH1A1
SCHEMBL6876552 0.88 MCHR1 (0.42) MCHR1ADRA2ALMNAL3MBTL1ALDH1A1
SCHEMBL6876993 0.83 MCHR1 (0.44) MCHR1ADRA2ALMNAL3MBTL1GAA
SCHEMBL6876997 0.83 MCHR1 (0.44) MCHR1ADRA2ALMNAL3MBTL1GAA
SCHEMBL6878174 0.83 MCHR1 (0.43) MCHR1ADRA2AL3MBTL1ALDH1A1BCHE
SCHEMBL6466543 0.83 MCHR1 (0.43) MCHR1ADRA2AL3MBTL1ALDH1A1BCHE
SCHEMBL6461843 0.81 MCHR1 (0.60) MCHR1ADRA2ANPY5R
Hydrochloric Acid SCHEMBL6457644 0.81 MCHR1 (0.59) MCHR1ADRA2ANPY5R
SCHEMBL6456988 0.80 MCHR1 (0.57) MCHR1ADRA2AALDH1A1HTTHRH1

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