SCHEMBL7065176

SCHEMBL7065176

CCCCOC(=O)NOC(=O)[C@@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.47
TLR2 O60603 2/20 0.43
DPP7 Q9UHL4 1/20 0.42
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.36
NAAA Q02083 2/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
ACHE P22303 5/20 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
SCHEMBL2713588 0.84 PRCP (0.51) PRCPTLR2DPP7NOS2NOS3
SCHEMBL2638667 0.84 PRCP (0.51) PRCPTLR2DPP7NOS2NOS3
SCHEMBL8257937 0.84 PRCP (0.51) PRCPTLR2DPP7NOS2NOS3
Hydrochloric Acid SCHEMBL7370055 0.83 PRCP (0.50) PRCPTLR2DPP7NOS2
Hydrochloric Acid SCHEMBL7366846 0.83 PRCP (0.50) PRCPTLR2DPP7NOS2
SCHEMBL629326 0.80 PRCP (0.54) PRCPTLR2DPP7GAAMAPK1
SCHEMBL4916259 0.80 PRCP (0.47) PRCPTLR2DPP7
SCHEMBL14794763 0.80 PRCP (0.47) PRCPTLR2DPP7
SCHEMBL629327 0.80 PRCP (0.54) PRCPTLR2DPP7GAAMAPK1
SCHEMBL17560401 0.79 NOS2 (0.44) PRCPTLR2DPP7NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003037346-A1 6-PHENYL-N-PHENYL-(1,3,5) -TRIAZINE-2,4-DIAMINE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOPHPHOSPHATIDIC ACID ACYLTRANSFERASE BETA (LPAAT-BETA) INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF CANCER CELL THERAPEUTICS, INC. (US) 2003-05-08 WO disclosed