SCHEMBL9596229

SCHEMBL9596229

COc1ccc2c(c1)c1c(n2C)CCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 2/20 0.50
MTNR1A P48039 1/20 0.50
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
APAF1 O14727 1/20 0.48
PABPC1 P11940 1/20 0.48
IDO1 P14902 1/20 0.48
RAB9A P51151 1/20 0.48
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.45

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
SCHEMBL10666131 0.81 HDAC1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10658421 0.80 KDM4E (0.43) ALDH1A1KDM4EPKMMAPK1MAPT
SCHEMBL31506882 0.79 KDM4E (0.41) ALDH1A1KDM4EPKMMAPK1MAPT
SCHEMBL6919959 0.78 HTR6 (0.59) MAPK1KMT2A
SCHEMBL10664163 0.78 KDM4E (0.41) ALDH1A1KDM4EMAPTRAB9ANPSR1
SCHEMBL10664295 0.77 SCARB1 (0.42) KDM4EMAPT
SCHEMBL9616130 0.77 ALOX5 (0.61) ALDH1A1KDM4EMTNR1AMAPTHTT
SCHEMBL1146660 0.76 HTR2A (0.51) ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL30223533 0.76 HTR2A (0.51) ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL9871263 0.76 KDM4E (0.48) ALDH1A1KDM4EPKMMTNR1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202343-A Treating anxiety, psychological disorders GLAXO GROUP LIMITED (GB) 1993-04-13 US disclosed
EP-0219193-B1 TETRAHYDROCARBAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1992-05-27 EP disclosed
US-4859662-A Tetrahydro-imidazolylmethylcarbazolones and analogs thereof for treating 5-HT function disturbances GLAXO GROUP LIMITED (GB) 1989-08-22 US disclosed
US-4822881-A PSYCHOTIC DISORDERS, ANXIETY, NAUSEA, VOMITING GLAXO GROUP LIMITED 1989-04-18 US disclosed
US-4725615-A SELECTIVE FOR \"NEURONAL\" 5-HYDROXYTRYPTAMINE RECEPTORS; NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED 1988-02-16 US disclosed
EP-0219193-A1 Tetrahydrocarbazolone derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-04-22 EP disclosed