SCHEMBL7680950

SCHEMBL7680950

Cc1ccc2[nH]c3c(c2c1)CCNC3C1(C(=O)O)CCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.54
RECQL P46063 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
MAPKAPK2 P49137 6/20 0.46
HTR2B P41595 4/20 0.46
MAPKAPK5 Q8IW41 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
SCHEMBL7676904 0.91 SIRT1 (0.43) SIRT1RECQLSIRT2HTR2AHTR2C
SCHEMBL7851653 0.88 MAPKAPK2 (0.62) SIRT1HTR2AHTR2CMAPKAPK2
SCHEMBL7843811 0.87 MAPKAPK2 (0.63) HTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL7680354 0.87 HTR2A (0.47) SIRT1HTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL7680308 0.87 MAPKAPK2 (0.63) SIRT1SIRT2HTR2AHTR2CMAPKAPK2
SCHEMBL7673692 0.86 KMT2A (0.48) SIRT1RECQLSIRT2HTR2AHTR2C
SCHEMBL7682184 0.86 S1PR1 (0.47) SIRT1HTR2AHTR2CMAPKAPK2HTR2B
SCHEMBL7681614 0.86 MAPKAPK2 (0.65) SIRT1RECQLHTR2AHTR2CMAPKAPK2
Hydrochloric Acid SCHEMBL7673537 0.86 HTR2A (0.49) SIRT1HTR2AHTR2CMAPKAPK2HTR2B
Hydrochloric Acid SCHEMBL7673540 0.86 HTR2A (0.49) SIRT1HTR2AHTR2CMAPKAPK2HTR2B

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