SCHEMBL6877385

SCHEMBL6877385

COc1ccc(CNC2CCC(Nc3cc(N(C)C)c4ccccc4n3)CC2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.50
ADRA2A P08913 1/20 0.45
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
APP P05067 2/20 0.42
BACE1 P56817 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
POLB P06746 1/20 0.39
DHFR P00374 1/20 0.38
SSTR5 P35346 2/20 0.37

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
SCHEMBL6877379 1.00 MCHR1 (0.50) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6873635 0.91 MCHR1 (0.51) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6873630 0.91 MCHR1 (0.51) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6874473 0.87 MCHR1 (0.50) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6874467 0.87 MCHR1 (0.50) MCHR1ADRA2ASMN1; SMN2KDM4ELMNA
SCHEMBL6877772 0.87 MCHR1 (0.50) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6877776 0.87 MCHR1 (0.50) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6879016 0.87 MCHR1 (0.51) MCHR1ADRA2ABCHEACHEAPP
SCHEMBL6867441 0.87 MCHR1 (0.58) MCHR1BCHEACHEAPPBACE1
SCHEMBL6879011 0.87 MCHR1 (0.51) MCHR1ADRA2ABCHEACHEAPP

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