SCHEMBL8768451

SCHEMBL8768451

CC(C)C[C@H](N)C(=O)NCO

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
ANPEP P15144 3/20 0.47
RNPEP Q9H4A4 2/20 0.47
DNPEP Q9ULA0 2/20 0.47
LARS1 Q9P2J5 3/20 0.44
AAK1 Q2M2I8 3/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
SCN9A Q15858 2/20 0.36
CIT O14578 1/20 0.36

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
SCHEMBL13789959 0.84 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL5270305 0.83 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL5509836 0.83 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL15374289 0.83 ANPEP (0.49) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL6047667 0.83 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL24491202 0.83 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL19608062 0.83 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL15374284 0.83 ANPEP (0.49) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL620370 0.83 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL620369 0.83 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPLARS1

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-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO claimed
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed