SCHEMBL6880792

SCHEMBL6880792

Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.42
ADRA2A P08913 14/20 0.42
HRH1 P35367 5/20 0.41
HTR2B P41595 5/20 0.41
ADRA1A P35348 3/20 0.41
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6880797 1.00 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464601 0.91 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459476 0.91 GAA (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464593 0.91 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459471 0.91 GAA (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876280 0.89 MEN1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876284 0.89 MEN1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875033 0.89 EPHX1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875039 0.89 EPHX1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880005 0.87 RAB9A (0.55) 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