SCHEMBL5045467

SCHEMBL5045467

O=C(O)CNCCNC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
PNMT P11086 1/20 0.42
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CPB1 P15086 1/20 0.36
MEN1 O00255 1/20 0.35
FOLH1 Q04609 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL29541016 0.91 HTT (0.47) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL6030527 0.91 HTT (0.47) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL29430517 0.90 PNMT (0.47) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL3459355 0.90 PNMT (0.47) HTTPNMTKMT2ANPC1RAB9A
Succinic Acid SCHEMBL28812246 0.89 HTT (0.43) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL28586408 0.89 HTT (0.57) HTTPNMTKMT2ANPC1RAB9A
Water SCHEMBL15362024 0.89 PNMT (0.46) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL28324367 0.88 PNMT (0.41) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL8642710 0.88 KMT2A (0.54) HTTPNMTKMT2ANPC1RAB9A
SCHEMBL2565052 0.87 KMT2A (0.56) HTTPNMTKMT2ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 EP disclosed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US disclosed
US-6133444-A PURINE PEPTIDE NUCLEIC ACIDS SYNTHONS PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-10-17 US disclosed
EP-0840736-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PerSeptive Biosystems, Inc. (US) 1998-05-13 EP disclosed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO disclosed