SCHEMBL6878442

SCHEMBL6878442

COc1cc(Br)cc(CN[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.48
ADRA2A P08913 8/20 0.48
NPY5R Q15761 3/20 0.41
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 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
SCHEMBL6466734 0.91 MCHR1 (0.51) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6466741 0.91 MCHR1 (0.51) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6877736 0.87 MCHR1 (0.55) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL6877755 0.87 MCHR1 (0.55) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13797409 0.84 MCHR1 (0.67) MCHR1ADRA2ANPY5R
SCHEMBL6873630 0.84 MCHR1 (0.51) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6879011 0.84 MCHR1 (0.51) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL6873635 0.84 MCHR1 (0.51) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6879016 0.84 MCHR1 (0.51) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL6868078 0.83 MCHR1 (0.51) MCHR1ADRA2AAPPBCHEACHE

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