SCHEMBL8124689

SCHEMBL8124689

N#CC(CCCOC1CCCCO1)(CCCC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 4/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
KCNA5 P22460 1/20 0.32
SCN5A Q14524 1/20 0.32
SSTR3 P32745 1/20 0.32
EPHA2 P29317 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL7426709 0.96 MEN1 (0.43) MEN1KMT2ASLC6A3PTGDR2KDM4C
SCHEMBL7765828 0.96 MEN1 (0.41) MEN1KMT2ASLC6A3PTGDR2KDM4C
SCHEMBL7958095 0.92 MEN1 (0.44) MEN1KMT2ASLC6A3KDM4CKCNA5
SCHEMBL7768729 0.91 MEN1 (0.40) MEN1KMT2ASLC6A3PTGDR2KDM4C
SCHEMBL6543753 0.89 MEN1 (0.38) MEN1KMT2ASLC6A3EPHA2ALDH1A1
SCHEMBL8207606 0.89 MEN1 (0.39) MEN1KMT2ASLC6A3KDM4CKCNA5
SCHEMBL7751872 0.88 MEN1 (0.40) MEN1KMT2ASLC6A3KDM4CKCNA5
SCHEMBL8484373 0.87 MEN1 (0.38) MEN1KMT2ASLC6A3KDM4CEPHA2
SCHEMBL7765726 0.86 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4CKCNA5
SCHEMBL4678659 0.85 MEN1 (0.40) MEN1KMT2ASLC6A3KDM4CSSTR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019373-A1 NOVEL HUMAN NK 3? RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-19 EP disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO disclosed