SCHEMBL6877690

SCHEMBL6877690

COc1ccc(CNC[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.48
MERTK Q12866 2/20 0.43
ADRA2A P08913 2/20 0.43
NPY5R Q15761 1/20 0.43
MAPT P10636 3/20 0.42
CXCR4 P61073 1/20 0.41
NCF1 P14598 1/20 0.41
VCP P55072 1/20 0.41
APP P05067 2/20 0.40
ACP1 P24666 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK7 P49862 1/20 0.39

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
SCHEMBL6877696 1.00 MCHR1 (0.48) MCHR1MERTKADRA2ANPY5RMAPT
SCHEMBL6873489 0.93 MCHR1 (0.48) MCHR1MERTKADRA2ANPY5RAPP
SCHEMBL6873484 0.93 MCHR1 (0.48) MCHR1MERTKADRA2ANPY5RAPP
SCHEMBL6875981 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RMAPTAPP
SCHEMBL6875975 0.90 MCHR1 (0.46) MCHR1ADRA2ANPY5RMAPTAPP
SCHEMBL6877036 0.90 MCHR1 (0.50) MCHR1ADRA2ANPY5RMAPTAPP
SCHEMBL6867532 0.90 MCHR1 (0.50) MCHR1ADRA2ANPY5RCXCR4VCP
SCHEMBL6877043 0.90 MCHR1 (0.50) MCHR1ADRA2ANPY5RMAPTAPP
SCHEMBL6867536 0.90 MCHR1 (0.50) MCHR1ADRA2ANPY5RCXCR4VCP
SCHEMBL6874146 0.89 MCHR1 (0.44) MCHR1MERTKADRA2AMAPTAPP

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