SCHEMBL6880213

SCHEMBL6880213

C[C@@H](NC(=O)c1ccccc1C(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.46
ADRA2A P08913 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
NPY5R Q15761 1/20 0.42

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
SCHEMBL6880216 1.00 MCHR1 (0.46) MCHR1ADRA2AMEN1KMT2AHTR1A
SCHEMBL6866843 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6457316 0.90 MCHR1 (0.42) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6462062 0.90 MCHR1 (0.42) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6866842 0.90 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877538 0.87 MCHR1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877534 0.87 MCHR1 (0.53) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877064 0.87 MCHR1 (0.51) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877059 0.87 MCHR1 (0.51) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL13794508 0.84 MCHR1 (0.67) 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 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