SCHEMBL6877407

SCHEMBL6877407

COc1cccc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.44
ADRA2A P08913 5/20 0.44
NPY5R Q15761 3/20 0.44
CCNT1 O60563 2/20 0.41
CCNT2 O60583 2/20 0.41
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK9 P50750 2/20 0.41
TUBB3 Q13509 4/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL6877399 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5RCCNT1CCNT2
SCHEMBL6879458 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RTUBB3ALDH1A1
SCHEMBL6879461 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RTUBB3ALDH1A1
SCHEMBL6866557 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTUBB3ADRA1A
SCHEMBL6465834 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RTUBB3ADRA1A
SCHEMBL6456916 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RGAAADRA1A
SCHEMBL6456909 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RGAAADRA1A
SCHEMBL6877468 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6877474 0.86 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6878131 0.86 MCHR1 (0.44) MCHR1ADRA2ANPY5RGAAADRA1A

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