SCHEMBL6879461

SCHEMBL6879461

COc1cccc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
ADRA2A P08913 2/20 0.44
NPY5R Q15761 2/20 0.44
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
TUBB3 Q13509 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6879458 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5RMAPTTP53
SCHEMBL6867919 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RMAPTTP53
SCHEMBL6867923 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RMAPTTP53
SCHEMBL6877407 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RMAPTKMT2A
SCHEMBL6877399 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RMAPTKMT2A
SCHEMBL6465834 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTUBB3
SCHEMBL6866557 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTUBB3
SCHEMBL6873984 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTUBB3ALDH1A1
SCHEMBL6873979 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTUBB3ALDH1A1
SCHEMBL6877468 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RCYP2D6

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