SCHEMBL7405463

SCHEMBL7405463

O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
ME3 Q16798 1/20 0.47
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MALT1 Q9UDY8 1/20 0.44
ABL1 P00519 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
FLT3 P36888 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
MAPK1 P28482 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
NAMPT P43490 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CA12 O43570 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
Acetic Acid SCHEMBL7376283 0.83 ME3 (0.50) ALDH1A1MEN1MAPTKMT2AME3
SCHEMBL7372038 0.81 PTPN2 (0.67) ALDH1A1MEN1MAPTKMT2AABL1
Acetic Acid SCHEMBL7412643 0.81 ME3 (0.48) ALDH1A1MEN1MAPTKMT2AME3
SCHEMBL533096 0.80 ALDH1A1 (0.62) ALDH1A1MEN1MAPTKMT2AME3
SCHEMBL7376708 0.80 MAPT (0.60) ALDH1A1MAPTKMT2AABL1MAPK1
Acetic Acid SCHEMBL7374080 0.79 PTPN2 (0.60) ALDH1A1MEN1MAPTKMT2AABL1
Acetic Acid SCHEMBL7374818 0.79 ALDH1A1 (0.55) ALDH1A1MEN1MAPTKMT2AME3
Acetic Acid SCHEMBL7376666 0.79 RAB9A (0.53) ALDH1A1MEN1MAPTKMT2AME3
SCHEMBL8383393 0.79 MAPT (0.52) ALDH1A1MEN1MAPTKMT2AME3
SCHEMBL14624172 0.77 DRD2 (0.53) ALDH1A1MEN1MAPTKMT2AME3

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