SCHEMBL27547784

SCHEMBL27547784

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
ACACB O00763 1/20 0.51
LTA4H P09960 3/20 0.50
EPOR P19235 1/20 0.49
PPARG P37231 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL27518568 0.86 ACACB (0.48) ACACBSMN1; SMN2
Hydrochloric Acid SCHEMBL7598447 0.85 ADAM10 (0.50) ALOX5ACACB
SCHEMBL27536890 0.81 NPY1R (0.43)
SCHEMBL27547781 0.80 LTA4H (0.64) ALOX5ACACBLTA4HEPORNPC1
SCHEMBL27547785 0.80 LTA4H (0.64) ALOX5ACACBLTA4HEPORNPC1
SCHEMBL28743017 0.80 ACACB (0.48) ACACBPARP10
SCHEMBL27518602 0.78 MMP9 (0.47)
SCHEMBL27536894 0.77 HTT (0.39)
SCHEMBL27536897 0.77 CTSK (0.47) ALOX5SMN1; SMN2
Hydrochloric Acid SCHEMBL7600660 0.77 CA1 (0.53)

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
CN-1279666-A NPY antagonists ASTRAZENECA AB (SE) 2001-01-10 CN disclosed