SCHEMBL6876757

SCHEMBL6876757

COc1cccc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.46
ADRA2A P08913 2/20 0.46
NPY5R Q15761 2/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 2/20 0.38
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.38
CXCR4 P61073 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
SCHEMBL6880269 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6880268 0.91 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6878869 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6878861 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6455511 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6868214 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6873090 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6873084 0.89 MCHR1 (0.47) MCHR1ADRA2ANPY5RKMT2AMEN1
SCHEMBL6868098 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RTSHRHSD17B10
SCHEMBL6868105 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RTSHRHSD17B10

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