SCHEMBL7678964

SCHEMBL7678964

O=C(c1cnc[nH]1)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 8/20 0.47
KIF11 P52732 11/20 0.43
MAPKAPK2 P49137 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
SIRT3 Q9NTG7 2/20 0.40

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
SCHEMBL7678968 1.00 SIRT1 (0.47) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7683312 0.88 MEN1 (0.46) SIRT1KIF11SIRT2SIRT3
Hydrochloric Acid SCHEMBL7680915 0.88 MEN1 (0.46) SIRT1KIF11SIRT2SIRT3
SCHEMBL7853788 0.86 SIRT1 (0.46) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7855327 0.85 KIF11 (0.47) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7854615 0.85 KIF11 (0.52) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7853413 0.85 MAPT (0.55) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7843919 0.84 ABCG2 (0.55) SIRT1KIF11
SCHEMBL7855042 0.84 ABCG2 (0.45) SIRT1KIF11
SCHEMBL7847564 0.83 SIRT1 (0.47) SIRT1KIF11MAPKAPK2SIRT2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP claimed
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed
EP-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP disclosed