SCHEMBL7851002

SCHEMBL7851002

O=C(c1ccccn1)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
MAPT P10636 2/20 0.49
KIF11 P52732 13/20 0.47
SIRT1 Q96EB6 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
ABCB1 P08183 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7847564 0.91 SIRT1 (0.47) DHODHMAPTKIF11SIRT1ABCG2
SCHEMBL7853413 0.90 MAPT (0.55) DHODHMAPTKIF11SIRT1
SCHEMBL7683286 0.88 DHODH (0.49) DHODHMAPTKIF11SIRT1MAPK1
SCHEMBL7843919 0.88 ABCG2 (0.55) KIF11SIRT1ABCG2ABCB1
SCHEMBL7855972 0.86 SIRT1 (0.44) DHODHMAPTKIF11SIRT1
SCHEMBL7855327 0.85 KIF11 (0.47) MAPTKIF11SIRT1ABCG2ABCB1
SCHEMBL7851311 0.85 SIRT1 (0.46) DHODHMAPTKIF11SIRT1MAPK1
SCHEMBL7854615 0.85 KIF11 (0.52) KIF11SIRT1ABCG2ABCB1
SCHEMBL7855042 0.84 ABCG2 (0.45) MAPTKIF11SIRT1ABCG2ABCB1
SCHEMBL7855705 0.83 SIRT1 (0.45) MAPTKIF11SIRT1

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
EP-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP disclosed