SCHEMBL6868658

SCHEMBL6868658

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.50
ADRA2A P08913 3/20 0.45
ADRA1A P35348 3/20 0.45
HTR2B P41595 3/20 0.45
HRH1 P35367 2/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPK14 Q16539 3/20 0.40
GRIN2B Q13224 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL6868664 1.00 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456307 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6456315 0.90 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873830 0.90 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873825 0.90 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876747 0.89 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876753 0.89 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6459056 0.89 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6459049 0.89 MCHR1 (0.43) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6877597 0.86 MCHR1 (0.49) MCHR1ADRA2AADRA1AHTR2BHRH1

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