SCHEMBL8713878

SCHEMBL8713878

NCCCC[C@](N)(C(=O)O)C(F)(F)CF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.52
LMNA P02545 3/20 0.41
BLM P54132 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
FDPS P14324 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
THRB P10828 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLG P00747 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A2 P23975 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7203565 0.82 ODC1 (0.47) ODC1LMNABLMKDM4EMAPT
SCHEMBL7203566 0.82 ODC1 (0.47) ODC1LMNABLMKDM4EMAPT
SCHEMBL7196982 0.79 ODC1 (0.44) ODC1LMNABLMKDM4EMAPT
SCHEMBL7203424 0.79 ODC1 (0.44) ODC1LMNABLMKDM4EMAPT
SCHEMBL4812451 0.76 ODC1 (0.53) ODC1LMNABLMKDM4EMAPT
SCHEMBL4812447 0.76 ODC1 (0.53) ODC1LMNABLMKDM4EMAPT
SCHEMBL4812444 0.76 ODC1 (0.53) ODC1LMNABLMKDM4EMAPT
SCHEMBL7200793 0.75 ODC1 (0.42) ODC1LMNABLMKDM4EMAPT
SCHEMBL7200787 0.75 ODC1 (0.42) ODC1LMNABLMKDM4EMAPT
SCHEMBL7204384 0.75 ODC1 (0.88) ODC1LMNABLMKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP claimed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO claimed