SCHEMBL6876993

SCHEMBL6876993

CN(C)c1nc(N[C@H]2CC[C@@H](NCCc3cccc(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.44
ADRA2A P08913 4/20 0.44
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PDE4B Q07343 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADORA2A P29274 1/20 0.36
GAA P10253 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6876997 1.00 MCHR1 (0.44) MCHR1ADRA2ABCHEACHELMNA
SCHEMBL6876580 0.83 MCHR1 (0.43) MCHR1ADRA2AACHELMNAL3MBTL1
SCHEMBL6876575 0.83 MCHR1 (0.43) MCHR1ADRA2AACHELMNAL3MBTL1
SCHEMBL6868411 0.83 MCHR1 (0.39) MCHR1ADRA2ABCHEACHELMNA
SCHEMBL6868414 0.83 MCHR1 (0.39) MCHR1ADRA2ABCHEACHELMNA
SCHEMBL13795246 0.82 MCHR1 (0.65) MCHR1ADRA2ABCHEACHEHRH1
SCHEMBL6875977 0.81 ALOX12 (0.56) MCHR1ADRA2ALMNANPC1RAB9A
SCHEMBL6875980 0.81 ALOX12 (0.56) MCHR1ADRA2ALMNANPC1RAB9A
SCHEMBL6466543 0.81 MCHR1 (0.43) MCHR1ADRA2ABCHEACHEL3MBTL1
SCHEMBL6878174 0.81 MCHR1 (0.43) MCHR1ADRA2ABCHEACHEL3MBTL1

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