SCHEMBL8134086

SCHEMBL8134086

CC(C(=O)O)N1CCC(C(=O)Nc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 1/20 0.52
ALDH1A1 P00352 2/20 0.49
ABL1 P00519 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPN1 P18031 1/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
EPHX2 P34913 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL533096 0.84 ALDH1A1 (0.62) ME3ALDH1A1ABL1MEN1KMT2A
Acetic Acid SCHEMBL7374818 0.83 ALDH1A1 (0.55) ME3ALDH1A1ABL1MEN1KMT2A
Acetic Acid SCHEMBL8143556 0.82 ME3 (0.55) ME3ALDH1A1ABL1MEN1KMT2A
Acetic Acid SCHEMBL7375335 0.80 ME3 (0.52) ME3ALDH1A1ABL1PTPN1MAPT
Acetic Acid SCHEMBL8135057 0.80 ME3 (0.52) ME3ALDH1A1ABL1MEN1KMT2A
SCHEMBL7371765 0.79 ME3 (0.54) ME3ALDH1A1ABL1MEN1KMT2A
SCHEMBL7374819 0.78 ALDH1A1 (0.50) ME3ALDH1A1ABL1MEN1KMT2A
SCHEMBL8141352 0.77 ME3 (0.52) ME3ALDH1A1ABL1MAPTSMN1; SMN2
SCHEMBL8143555 0.76 ALDH1A1 (0.48) ME3ALDH1A1ABL1MEN1KMT2A
SCHEMBL8134089 0.76 ALDH1A1 (0.47) ME3ALDH1A1ABL1MEN1KMT2A

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
US-6069143-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-05-30 US disclosed