SCHEMBL6874262

SCHEMBL6874262

CCOc1cc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.46
MCHR1 Q99705 2/20 0.44
ADRA2A P08913 1/20 0.41
NPY5R Q15761 1/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
APP P05067 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GUSB P08236 1/20 0.37
HRH1 P35367 3/20 0.37
HTR2B P41595 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6874270 1.00 SSTR5 (0.46) SSTR5MCHR1ADRA2ANPY5RBCHE
SCHEMBL6880075 0.91 APP (0.48) SSTR5MCHR1ADRA2ANPY5RBCHE
SCHEMBL6880081 0.91 APP (0.48) SSTR5MCHR1ADRA2ANPY5RBCHE
SCHEMBL6875480 0.87 MCHR1 (0.47) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6875473 0.87 MCHR1 (0.47) MCHR1ADRA2ANPY5RBCHEACHE
SCHEMBL6456819 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RKMT2AKDM4E
SCHEMBL6873706 0.86 ACHE (0.54) SSTR5MCHR1ADRA2ANPY5RBCHE
SCHEMBL6880013 0.86 MCHR1 (0.49) MCHR1ADRA2ANPY5RKMT2AKDM4E
SCHEMBL6873700 0.86 ACHE (0.54) SSTR5MCHR1ADRA2ANPY5RBCHE
SCHEMBL6876855 0.85 MCHR1 (0.46) SSTR5MCHR1ADRA2ANPY5RBCHE

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