SCHEMBL6867620

SCHEMBL6867620

COc1cc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
ADRA2A P08913 1/20 0.43
NPY5R Q15761 1/20 0.43
ACHE P22303 4/20 0.43
BCHE P06276 3/20 0.43
APP P05067 2/20 0.43
BACE1 P56817 2/20 0.41
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 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
SCHEMBL6867626 1.00 MCHR1 (0.49) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6874206 0.94 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6874202 0.94 MCHR1 (0.46) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6880677 0.93 MCHR1 (0.47) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6880690 0.93 MCHR1 (0.47) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6873700 0.91 ACHE (0.54) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6873706 0.91 ACHE (0.54) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6878143 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6878154 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RACHEBCHE
SCHEMBL6873484 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RACHEBCHE

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