SCHEMBL6867923

SCHEMBL6867923

COc1ccc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.45
ADRA2A P08913 6/20 0.45
NPY5R Q15761 3/20 0.45
APP P05067 3/20 0.39
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ADRA1A P35348 2/20 0.35
HTR2B P41595 2/20 0.35
HRH1 P35367 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TUBB3 Q13509 1/20 0.33

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
SCHEMBL6867919 1.00 MCHR1 (0.45) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6873979 0.93 MCHR1 (0.43) MCHR1ADRA2ANPY5RAPPALDH1A1
SCHEMBL6873984 0.93 MCHR1 (0.43) MCHR1ADRA2ANPY5RAPPALDH1A1
SCHEMBL6879458 0.92 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6879461 0.92 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6876322 0.89 ADRA2A (0.42) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6876315 0.89 ADRA2A (0.42) MCHR1ADRA2ANPY5RAPPKDM4E
SCHEMBL6457252 0.88 ADRA2A (0.51) MCHR1ADRA2ANPY5RAPPBCHE
SCHEMBL6877474 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6877468 0.87 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B

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