SCHEMBL6977293

SCHEMBL6977293

C1CCN(CCCNC2CCOCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.46
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAD52 P43351 1/20 0.41
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
VCP P55072 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6977228 0.91 HPGD (0.51) LMNASMN1; SMN2GAAEPHX1HPGD
SCHEMBL3585953 0.89 RAD52 (0.51) LMNASMN1; SMN2GAAEPHX1HRH3
SCHEMBL13771340 0.86 GAA (0.56) LMNASMN1; SMN2GAAEPHX1HPGD
SCHEMBL6975115 0.86 GAA (0.60) LMNASMN1; SMN2GAAEPHX1HPGD
SCHEMBL6973435 0.85 RAD52 (0.55) LMNASMN1; SMN2GAAEPHX1HRH3
SCHEMBL13045564 0.84 GAA (0.62) LMNASMN1; SMN2GAAEPHX1HPGD
SCHEMBL13771289 0.84 GAA (0.62) LMNASMN1; SMN2GAAEPHX1HPGD
SCHEMBL20614282 0.83 RAD52 (0.58) LMNASMN1; SMN2GAAEPHX1HRH3
SCHEMBL7947655 0.83 RAD52 (0.58) LMNASMN1; SMN2GAAEPHX1HRH3
SCHEMBL13751423 0.79 HPGD (0.47) LMNASMN1; SMN2GAAEPHX1HPGD

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
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed