SCHEMBL6880291

SCHEMBL6880291

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.45
ADRA2A P08913 5/20 0.45
HTR2B P41595 3/20 0.45
ADRA1A P35348 2/20 0.45
HTR1A P08908 1/20 0.45
HRH1 P35367 2/20 0.43
NPY5R Q15761 2/20 0.40
LMNA P02545 1/20 0.38
CNR2 P34972 2/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PAX8 Q06710 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6880293 1.00 MCHR1 (0.45) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875973 0.90 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875970 0.90 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6876812 0.89 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6876806 0.89 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6457708 0.86 MCHR1 (0.46) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6457698 0.86 MCHR1 (0.46) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL5526628 0.84 MCHR1 (0.57) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL5526635 0.84 MCHR1 (0.57) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6875268 0.84 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHTR1A

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