SCHEMBL13794580

SCHEMBL13794580

CC(=O)c1ccc(OCC(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.61
ADRA2A P08913 13/20 0.61
HTR1A P08908 1/20 0.59
ADRA1A P35348 1/20 0.59
HRH1 P35367 1/20 0.59
HTR2B P41595 1/20 0.59
NPY5R Q15761 1/20 0.59
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL13792968 0.93 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793223 0.90 MCHR1 (0.62) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793921 0.90 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793872 0.89 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793580 0.85 MCHR1 (0.83) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793458 0.84 MCHR1 (0.69) MCHR1ADRA2AHTR1AADRA1AHRH1
Trifluoroacetic Acid SCHEMBL5527698 0.84 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13793455 0.84 MCHR1 (0.64) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13797514 0.84 MCHR1 (0.75) MCHR1ADRA2AHTR1AADRA1AHRH1
Trifluoroacetic Acid SCHEMBL4030198 0.83 MCHR1 (0.65) MCHR1ADRA2AHTR1AADRA1AHRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed