SCHEMBL8893420

SCHEMBL8893420

N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.76
ARG2 P78540 4/20 0.67
ARG1 P05089 3/20 0.67
NOS2 P35228 6/20 0.61
CYP1A2 P05177 3/20 0.59
GRM8 O00222 1/20 0.59
GRM6 O15303 1/20 0.59
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
GRIK1 P39086 1/20 0.59
GRM5 P41594 1/20 0.59
GRIA1 P42261 1/20 0.59
GRIA2 P42262 1/20 0.59
GRIA3 P42263 1/20 0.59
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
GRIA4 P48058 1/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59

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
SCHEMBL8894128 1.00 GSR (0.76) GSRARG2ARG1NOS2CYP1A2
SCHEMBL31348916 1.00 GSR (0.76) GSRARG2ARG1NOS2CYP1A2
SCHEMBL6741106 1.00 GSR (0.76) GSRARG2ARG1NOS2CYP1A2
SCHEMBL9829771 1.00 GSR (0.76) GSRARG2ARG1NOS2CYP1A2
SCHEMBL4848672 1.00 GSR (0.76) GSRARG2ARG1NOS2CYP1A2
Hydrochloric Acid SCHEMBL16599902 0.97 GSR (0.73) GSRARG2ARG1NOS2CYP1A2
Hydrochloric Acid SCHEMBL8892812 0.97 GSR (0.73) GSRARG2ARG1NOS2CYP1A2
SCHEMBL21689907 0.97 GSR (0.80) GSRARG2ARG1NOS2CYP1A2
SCHEMBL293201 0.97 GSR (0.80) GSRARG2ARG1NOS2CYP1A2
SCHEMBL29268443 0.97 GSR (0.80) GSRARG2ARG1NOS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610141-A CELL DIVISION STIMULANT NYCOMED IMAGING AS (NO) 1997-03-11 US disclosed
EP-0673388-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-09-27 EP disclosed
WO-1993024523-A1 DOUBLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY HAFSLUND NYCOMED AS (NO) 1993-12-09 WO disclosed