SCHEMBL6868667

SCHEMBL6868667

Cc1ccc(CNC(=S)N[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.52
ADRA2A P08913 2/20 0.45
MCHR1 Q99705 2/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
ADRB2 P07550 1/20 0.42
PLA2G1B P04054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6868673 1.00 ALPL (0.52) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL7044564 0.92 BCHE (0.46) ALPLADRA2AMCHR1ALDH1A1LMNA
SCHEMBL7044566 0.92 BCHE (0.46) ALPLADRA2AMCHR1ALDH1A1LMNA
SCHEMBL6875979 0.91 LMNA (0.54) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL6868978 0.91 LMNA (0.55) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL6868980 0.91 LMNA (0.55) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL6875974 0.91 LMNA (0.54) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL6880458 0.91 KMT2A (0.46) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL6879414 0.90 MCHR1 (0.46) ALPLADRA2AMCHR1HRH1HTR2B
SCHEMBL6879419 0.90 MCHR1 (0.46) ALPLADRA2AMCHR1HRH1HTR2B

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