SCHEMBL6880177

SCHEMBL6880177

CN(C)c1nc(NC2CCC(CNCCc3ccc(C(C)(C)C)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.38
ADRA2A P08913 10/20 0.38
HTR2B P41595 5/20 0.38
ADRA1A P35348 3/20 0.38
HTR1A P08908 1/20 0.38
HRH1 P35367 4/20 0.36
NPY5R Q15761 3/20 0.36
CCR3 P51677 2/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
ADRB2 P07550 1/20 0.33

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
SCHEMBL6880172 1.00 MCHR1 (0.38) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6876552 0.89 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6876555 0.89 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6868494 0.83 ACHE (0.40) MCHR1ADRA2ANPY5RDRD2
SCHEMBL6877596 0.83 ACHE (0.40) MCHR1ADRA2ANPY5RDRD2
SCHEMBL6877600 0.83 ACHE (0.40) MCHR1ADRA2ANPY5RDRD2
SCHEMBL6868489 0.83 ACHE (0.40) MCHR1ADRA2ANPY5RDRD2
SCHEMBL13793549 0.83 MCHR1 (0.53) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6877490 0.81 MCHR1 (0.41) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6877479 0.81 MCHR1 (0.41) 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