SCHEMBL6878375

SCHEMBL6878375

Cc1ccccc1NC(=O)NCC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
ADRA2A P08913 5/20 0.44
HTR2B P41595 3/20 0.44
ADRA1A P35348 2/20 0.44
HRH1 P35367 2/20 0.44
HTR1A P08908 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPY5R Q15761 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6878369 1.00 MCHR1 (0.44) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6880587 0.91 MCHR1 (0.45) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6878073 0.91 MCHR1 (0.41) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6872880 0.91 KMT2A (0.41) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6872878 0.91 KMT2A (0.41) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6878076 0.91 MCHR1 (0.41) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6880591 0.91 MCHR1 (0.45) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461585 0.91 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6461580 0.91 MCHR1 (0.42) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6458452 0.90 MCHR1 (0.46) MCHR1ADRA2AHTR2BADRA1AHRH1

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