SCHEMBL8530336

SCHEMBL8530336

N#CCCCC[C@H](N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.60
GSR P00390 2/20 0.59
ARG2 P78540 4/20 0.53
ARG1 P05089 3/20 0.53
NOS2 P35228 6/20 0.47
NOS1 P29475 4/20 0.47
CYP1A2 P05177 3/20 0.47
NOS3 P29474 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 2/20 0.47
GLA P06280 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIK1 P39086 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL25662044 1.00 SLC1A2 (0.60) SLC1A2GSRARG2ARG1NOS2
SCHEMBL8126946 1.00 SLC1A2 (0.60) SLC1A2GSRARG2ARG1NOS2
SCHEMBL25660492 0.98 SLC1A2 (0.58) SLC1A2GSRARG2ARG1NOS2
SCHEMBL3696199 0.93 SLC1A2 (0.62) SLC1A2GSRARG2ARG1NOS2
SCHEMBL3696195 0.93 SLC1A2 (0.62) SLC1A2GSRARG2ARG1NOS2
SCHEMBL2708260 0.86
SCHEMBL30562964 0.86
SCHEMBL21411550 0.86
SCHEMBL158491 0.86
SCHEMBL13318957 0.86

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
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed