SCHEMBL6878019

SCHEMBL6878019

COc1cccc(OC)c1CN[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.53
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
APP P05067 2/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42

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
SCHEMBL6878027 1.00 MCHR1 (0.53) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6877157 0.91 MCHR1 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6877152 0.91 MCHR1 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6455511 0.89 MCHR1 (0.46) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6868214 0.89 MCHR1 (0.46) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6873630 0.86 MCHR1 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6879016 0.86 MCHR1 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6873635 0.86 MCHR1 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6867441 0.86 MCHR1 (0.58) MCHR1APPBCHEACHELMNA
SCHEMBL6879011 0.86 MCHR1 (0.51) MCHR1USP2CYP1A2CYP3A4CYP2D6

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