SCHEMBL7361076

SCHEMBL7361076

N=C(N)CCC[CH]CCCN

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7355480 0.88 SPHK2 (0.43) SPHK2SPHK1CYP1A2CYP2C19
SCHEMBL7357209 0.79 SPHK2 (0.54) SPHK2SPHK1CYP1A2CYP2C19
SCHEMBL11323956 0.79
Hydrochloric Acid SCHEMBL11882131 0.76
SCHEMBL29244693 0.76
SCHEMBL4714661 0.76
SCHEMBL29198578 0.74 SPHK2 (0.59) SPHK2SPHK1CYP1A2CYP2C19
SCHEMBL28662187 0.74
SCHEMBL10383303 0.73 SPHK2 (0.38) SPHK2SPHK1
SCHEMBL7361070 0.71 LMNA (0.64) CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed