SCHEMBL9872582

SCHEMBL9872582

CCCN(CCC)C(=O)C(N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC7A5 Q01650 1/20 0.56
MC4R P32245 4/20 0.52
MC5R P33032 3/20 0.52
MC3R P41968 3/20 0.52
SLC15A1 P46059 1/20 0.49
LTA4H P09960 1/20 0.46
TP53 P04637 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43

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
SCHEMBL24785636 0.91 MC4R (0.56) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL9439526 0.88 MC4R (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8917376 0.88 MC4R (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6166496 0.87 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9200374 0.87 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28185552 0.86 SLC7A5 (0.56) SLC7A5MC4RMC5RMC3RHDAC8
SCHEMBL28185553 0.86 SLC7A5 (0.56) SLC7A5MC4RMC5RMC3RHDAC8
SCHEMBL9572329 0.83 MC4R (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5605249 0.81 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7500822 0.81 SLC1A1 (0.51) TP53SLC1A1

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed