SCHEMBL7325672

SCHEMBL7325672

NC(=O)c1ccccc1OCO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 2/20 0.60
NR1I2 O75469 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADRA2A P08913 1/20 0.60
OPRK1 P41145 1/20 0.60
HTR2B P41595 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
CTNNB1 P35222 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.55
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL27537822 0.86 MAPT (0.62) PARP1MAPTKMT2AHTTLMNA
SCHEMBL1894429 0.85 KMT2A (0.66) PARP1MAPTKMT2AHTTLMNA
SCHEMBL15525445 0.84 MAPT (0.60) PARP1MAPTKMT2AHTTLMNA
SCHEMBL489857 0.83 ALDH1A1 (0.48) PARP1MAPTKMT2AHTTLMNA
SCHEMBL7114649 0.83 LMNA (0.69) PARP1MAPTKMT2AHTTLMNA
SCHEMBL3825061 0.82 KDM4E (0.63) PARP1MAPTKMT2AHTTLMNA
Ethenzamide SCHEMBL25624 0.82 MAPT (0.68) PARP1MAPTKMT2AHTTLMNA
SCHEMBL11202523 0.82 KDM4E (0.63) PARP1MAPTKMT2AHTTLMNA
SCHEMBL3455066 0.82 HTT (0.77) PARP1MAPTKMT2AHTTLMNA
Ethenzamide SCHEMBL27612766 0.82 MAPT (0.68) PARP1MAPTKMT2AHTTLMNA

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-2614727-B1 N-Nonanoylvanillylamine as an appetite reduction agent and as a means for generating the feeling of being full and corresponding orally consumable products and method SYMRISE AG (DE) 2016-09-07 EP disclosed
EP-2614727-A1 N-Nonanoylvanillylamine as an appetite reduction agent, as a means for generating the feeling of being full and as a mood enhancer and corresponding material mixtures, orally consumable products and method Symrise AG (DE) 2013-07-17 EP disclosed
EP-0271059-B1 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1993-10-20 EP disclosed
US-4971984-A Cardiovascular disorders, hypotensive agints BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-11-20 US disclosed