SCHEMBL6876733

SCHEMBL6876733

CCOc1ccc(Br)cc1CNCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.51
ADRA2A P08913 11/20 0.51
NPY5R Q15761 5/20 0.51
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
CCR5 P51681 2/20 0.39
LMNA P02545 1/20 0.37
ADRA1A P35348 2/20 0.36
HTR2B P41595 2/20 0.36
HRH1 P35367 1/20 0.36
HTR1A P08908 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6876726 1.00 MCHR1 (0.51) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6875028 0.92 MCHR1 (0.53) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6875024 0.92 MCHR1 (0.53) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6878734 0.91 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6460183 0.91 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6879007 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457942 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6878940 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RALDH1A1MEN1
SCHEMBL6874664 0.87 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874656 0.87 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHTR2B

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