SCHEMBL6877569

SCHEMBL6877569

C[C@@H](NC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 7/20 0.40
ADRA2A P08913 6/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
EPHX1 P07099 2/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
NPY5R Q15761 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
SCHEMBL6877575 1.00 ALPL (0.50) ALPLALPIALPGNPC1KMT2A
SCHEMBL6877344 1.00 ALPL (0.50) ALPLALPIALPGNPC1KMT2A
SCHEMBL6877350 1.00 ALPL (0.50) ALPLALPIALPGNPC1KMT2A
SCHEMBL6876759 0.91 MCHR1 (0.40) ALPLALPIALPGNPC1MCHR1
SCHEMBL6876764 0.91 MCHR1 (0.40) ALPLALPIALPGNPC1MCHR1
SCHEMBL6868670 0.91 MCHR1 (0.44) ALPLALPIALPGKMT2AMCHR1
SCHEMBL6868666 0.91 MCHR1 (0.44) ALPLALPIALPGKMT2AMCHR1
SCHEMBL6875593 0.89 EPHX1 (0.54) MCHR1ADRA2AEPHX1LMNAHTR1A
SCHEMBL6875584 0.89 EPHX1 (0.54) MCHR1ADRA2AEPHX1LMNAHTR1A
SCHEMBL6456857 0.86 MCHR1 (0.39) NPC1KMT2AMCHR1ADRA2AHTR1A

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