SCHEMBL6880499

SCHEMBL6880499

C[C@H](NC(=O)c1ccccc1C(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.51
ADRA2A P08913 17/20 0.47
HRH1 P35367 5/20 0.44
HTR2B P41595 5/20 0.44
ADRA1A P35348 3/20 0.43
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6880504 1.00 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875593 0.89 EPHX1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875584 0.89 EPHX1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873151 0.89 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459527 0.89 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7047029 0.88 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7047036 0.88 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877350 0.85 ALPL (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877344 0.85 ALPL (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877569 0.85 ALPL (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A

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