SCHEMBL8545321

SCHEMBL8545321

O=C(O)[C@@H]1CCCN2CCc3c([nH]c4ccc(Cl)cc34)[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.54
SIRT1 Q96EB6 11/20 0.53
SIRT2 Q8IXJ6 3/20 0.53
SIRT3 Q9NTG7 2/20 0.53
KIF11 P52732 1/20 0.52
ALOX15 P16050 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.47
TSHR P16473 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
SCHEMBL3575730 1.00 MAPKAPK2 (0.54) MAPKAPK2SIRT1SIRT2SIRT3KIF11
SCHEMBL8543514 1.00 MAPKAPK2 (0.54) MAPKAPK2SIRT1SIRT2SIRT3KIF11
SCHEMBL8543519 1.00 MAPKAPK2 (0.54) MAPKAPK2SIRT1SIRT2SIRT3KIF11
SCHEMBL8545315 1.00 MAPKAPK2 (0.54) MAPKAPK2SIRT1SIRT2SIRT3KIF11
SCHEMBL8858882 0.85 MAPT (0.64) SIRT1SIRT2SIRT3KIF11ALOX15
SCHEMBL8858890 0.85 MAPT (0.64) SIRT1SIRT2SIRT3KIF11ALOX15
SCHEMBL8858885 0.85 MAPT (0.64) SIRT1SIRT2SIRT3KIF11ALOX15
SCHEMBL8858868 0.85 MAPT (0.64) SIRT1SIRT2SIRT3KIF11ALOX15
SCHEMBL8858878 0.85 MAPT (0.64) SIRT1SIRT2SIRT3KIF11ALOX15
SCHEMBL10579158 0.81 SLC6A4 (0.54) MAPKAPK2SIRT1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658557-B1 Eburnane derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-09-02 EP disclosed
EP-0658557-A1 Eburnane derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-06-21 EP disclosed