SCHEMBL7374698

SCHEMBL7374698

O=C(O)C[C@]1(O)CC[C@H](C(=O)Nc2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME3 Q16798 1/20 0.51
ALDH1A1 P00352 4/20 0.48
ABL1 P00519 1/20 0.47
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GLA P06280 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL7374701 1.00 ME3 (0.51) ME3ALDH1A1ABL1MAPTSMN1; SMN2
SCHEMBL7374695 1.00 ME3 (0.51) ME3ALDH1A1ABL1MAPTSMN1; SMN2
SCHEMBL533096 0.83 ALDH1A1 (0.62) ME3ALDH1A1ABL1MAPTSMN1; SMN2
SCHEMBL7371765 0.81 ME3 (0.54) ME3ALDH1A1ABL1MAPTSMN1; SMN2
Acetic Acid SCHEMBL7374818 0.80 ALDH1A1 (0.55) ME3ALDH1A1ABL1MAPTITGB3
SCHEMBL8141352 0.79 ME3 (0.52) ME3ALDH1A1ABL1MAPTSMN1; SMN2
Acetic Acid SCHEMBL8143556 0.77 ME3 (0.55) ME3ALDH1A1ABL1MAPTSMN1; SMN2
Acetic Acid SCHEMBL8135057 0.76 ME3 (0.52) ME3ALDH1A1ABL1MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7376343 0.75 ME3 (0.48) ME3ALDH1A1ABL1MAPTSMN1; SMN2
Acetic Acid SCHEMBL7375335 0.74 ME3 (0.52) ME3ALDH1A1ABL1MAPTSMN1; SMN2

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