SCHEMBL7676904

SCHEMBL7676904

Cc1ccc2c3c([nH]c2c1)C(C1(C(=O)O)CCC1)NCC3

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.43
MAPKAPK2 P49137 7/20 0.41
RECQL P46063 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PSMD14 O00487 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
HTR2B P41595 4/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39

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
SCHEMBL7680950 0.91 SIRT1 (0.54) SIRT1MAPKAPK2RECQLSIRT2HTR2A
Hydrochloric Acid SCHEMBL7682863 0.86 KMT2A (0.43) SIRT1RECQLSIRT2KDM4EPSMD14
SCHEMBL7680833 0.84 S1PR1 (0.41) MAPKAPK2
SCHEMBL7676958 0.84 MAPKAPK2 (0.60) SIRT1MAPKAPK2SIRT2
SCHEMBL7852507 0.82 MAPKAPK2 (0.45) SIRT1MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7850754 0.82 MAPKAPK2 (0.40) SIRT1MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7855196 0.81 MAPKAPK2 (0.54) MAPKAPK2KDM4EPSMD14POLBGAA
SCHEMBL7851653 0.81 MAPKAPK2 (0.62) SIRT1MAPKAPK2HTR2AHTR2C
SCHEMBL7843811 0.80 MAPKAPK2 (0.63) MAPKAPK2HTR2AHTR2CHTR2B
SCHEMBL7680308 0.80 MAPKAPK2 (0.63) SIRT1MAPKAPK2SIRT2HTR2AHTR2C

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
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