SCHEMBL6877347

SCHEMBL6877347

COc1cc(OC)c(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
ADRA2A P08913 4/20 0.43
NPY5R Q15761 3/20 0.43
CD274 Q9NZQ7 1/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MERTK Q12866 2/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CLK4 Q9HAZ1 2/20 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
SCHEMBL6877351 1.00 MCHR1 (0.45) MCHR1ADRA2ANPY5RCD274MAPT
SCHEMBL6455511 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RCD274MAPT
SCHEMBL6868214 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RCD274MAPT
SCHEMBL6873489 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RTP53APP
SCHEMBL6873484 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RTP53APP
SCHEMBL6877323 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RMAPTAPP
SCHEMBL6877318 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RMAPTAPP
SCHEMBL6873885 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RMAPTTP53
SCHEMBL6873877 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RMAPTTP53
SCHEMBL6877690 0.87 MCHR1 (0.48) MCHR1ADRA2ANPY5RMAPTAPP

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