SCHEMBL11075150

SCHEMBL11075150

NC(=O)CC(CC(N)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.60
ALOX5 P09917 1/20 0.59
PRKCA P17252 2/20 0.56
PRKCD Q05655 2/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
FFAR1 O14842 2/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL8182251 0.88 FFAR1 (0.66) PRKCAPRKCDNR4A1NR4A2NR4A3
SCHEMBL11072773 0.84 KMT2A (0.67) PARP10ALOX5NR4A2MAOB
SCHEMBL11088374 0.81 F2 (0.49) LMNAHDAC6
SCHEMBL2731334 0.79 PRKCA (0.68) PARP10PRKCAPRKCDNR4A1NR4A2
SCHEMBL4432728 0.79 PARP10 (0.70) PARP10NR4A1NR4A2NR4A3FFAR1
SCHEMBL11074823 0.79 MAOB (0.61) PARP10ALOX5PRKCAPRKCDNR4A1
SCHEMBL5720973 0.79 KMT2A (0.72) PARP10ALOX5NR4A1NR4A2NR4A3
SCHEMBL2170633 0.79 ALOX5 (0.67) PARP10ALOX5NR4A1NR4A2NR4A3
SCHEMBL2995320 0.79 KMT2A (0.72) PARP10ALOX5NR4A1NR4A2NR4A3
SCHEMBL28115187 0.79 PARP10 (0.60) PARP10ALOX5NR4A1NR4A2NR4A3

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed