SCHEMBL7376347

SCHEMBL7376347

O=C(CN1CCC(C(=O)Nc2ccc(N3CCNCC3)cc2)CC1)OC(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
ME3 Q16798 1/20 0.43
ABL1 P00519 1/20 0.42
MAPK1 P28482 3/20 0.42
DEGS1 O15121 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
CHRM4 P08173 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8143555 0.86 ALDH1A1 (0.48) ALDH1A1ME3ABL1MAPK1MAPT
Trifluoroacetic Acid SCHEMBL7376343 0.85 ME3 (0.48) ALDH1A1ME3ABL1MAPK1DEGS1
SCHEMBL7370662 0.84 PTPN2 (0.51) ALDH1A1ME3ABL1MAPK1MAPT
SCHEMBL8135054 0.83 LMNA (0.49) ALDH1A1ME3ABL1MAPK1MAPT
SCHEMBL7371765 0.82 ME3 (0.54) ALDH1A1ME3ABL1MAPK1MAPT
SCHEMBL533096 0.80 ALDH1A1 (0.62) ALDH1A1ME3ABL1MAPTMEN1
SCHEMBL8134089 0.79 ALDH1A1 (0.47) ALDH1A1ME3ABL1MAPTMEN1
SCHEMBL8141352 0.76 ME3 (0.52) ALDH1A1ME3ABL1MAPK1MAPT
Acetic Acid SCHEMBL8135057 0.76 ME3 (0.52) ALDH1A1ME3ABL1MAPK1MAPT
SCHEMBL7374819 0.75 ALDH1A1 (0.50) ALDH1A1ME3ABL1MAPTMEN1

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 4 patents. 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
EP-0885213-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-04-28 EP disclosed
EP-0885213-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 EP disclosed
WO-1997025323-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-17 WO disclosed