SCHEMBL6880700

SCHEMBL6880700

Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c(C(F)(F)F)o1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.51
ADRA2A P08913 5/20 0.51
ADRA1A P35348 4/20 0.51
HTR2B P41595 3/20 0.51
HTR1A P08908 1/20 0.51
HRH1 P35367 3/20 0.47
NPY5R Q15761 1/20 0.42
SCD O00767 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR2 P34972 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
SCHEMBL6880709 1.00 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6879429 0.89 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6879426 0.89 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875023 0.89 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875030 0.89 MCHR1 (0.52) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875069 0.87 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875059 0.87 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6878587 0.83 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6878581 0.83 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6467026 0.82 MCHR1 (0.70) MCHR1ADRA2AADRA1AHTR2BHTR1A

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