SCHEMBL8134089

SCHEMBL8134089

CCC(=O)ON1CCC(C(=O)Nc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
ME3 Q16798 1/20 0.47
ABL1 P00519 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
AURKA O14965 1/20 0.42
RIPK1 Q13546 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
SCHEMBL7374819 0.88 ALDH1A1 (0.50) ALDH1A1ME3ABL1MAPTHTT
SCHEMBL533096 0.85 ALDH1A1 (0.62) ALDH1A1ME3ABL1SMN1; SMN2MAPT
SCHEMBL8143555 0.81 ALDH1A1 (0.48) ALDH1A1ME3ABL1SMN1; SMN2MAPT
SCHEMBL8135054 0.81 LMNA (0.49) ALDH1A1ME3ABL1SMN1; SMN2RAB9A
Acetic Acid SCHEMBL8135057 0.80 ME3 (0.52) ALDH1A1ME3ABL1SMN1; SMN2RAB9A
Acetic Acid SCHEMBL7374818 0.79 ALDH1A1 (0.55) ALDH1A1ME3ABL1MAPTGAA
SCHEMBL7376347 0.79 ALDH1A1 (0.43) ALDH1A1ME3ABL1SMN1; SMN2MAPT
Acetic Acid SCHEMBL8143556 0.78 ME3 (0.55) ALDH1A1ME3ABL1SMN1; SMN2RAB9A
SCHEMBL7370662 0.78 PTPN2 (0.51) ALDH1A1ME3ABL1SMN1; SMN2RAB9A
SCHEMBL7371765 0.77 ME3 (0.54) ALDH1A1ME3ABL1SMN1; SMN2MAPT

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