SCHEMBL6879418

SCHEMBL6879418

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)NCc3ccccc3Cl)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.46
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 3/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL6879424 1.00 MCHR1 (0.46) MCHR1ACHEBACE1MAPK1NPC1
SCHEMBL6872390 0.90 ACHE (0.46) MCHR1ACHEBACE1MAPK1NPC1
SCHEMBL6875685 0.86 MAPK14 (0.50) MCHR1MAPK1NPC1RAB9AKMT2A
SCHEMBL6875689 0.86 MAPK14 (0.50) MCHR1MAPK1NPC1RAB9AKMT2A
SCHEMBL6458463 0.85 MCHR1 (0.47) MCHR1NPC1RAB9AMAPK14ADRA2A
SCHEMBL6458476 0.85 MCHR1 (0.47) MCHR1NPC1RAB9AMAPK14ADRA2A
SCHEMBL6867719 0.83 MCHR1 (0.53) MCHR1MAPK14ADRA2AADRA1AHRH1
SCHEMBL6867713 0.83 MCHR1 (0.53) MCHR1MAPK14ADRA2AADRA1AHRH1
SCHEMBL6460500 0.83 MCHR1 (0.45) MCHR1MAPK1RAB9AMEN1TP53
SCHEMBL6460506 0.83 MCHR1 (0.45) MCHR1MAPK1RAB9AMEN1TP53

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