SCHEMBL8025896

SCHEMBL8025896

COc1ccc2c(c1)c1c(n2C)C2=CCCC(=O)N2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
MAOA P21397 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 3/20 0.40
ACHE P22303 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR5A P47898 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8039622 0.77 GRM5 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL7851700 0.75 KDM4E (0.54) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL14345729 0.70 DRD2 (0.43) DRD2DRD1DRD5DRD3MAOA
SCHEMBL7843326 0.69 NOTUM (0.47) DRD2DRD1DRD5DRD3MAOA
SCHEMBL14345923 0.69 KDM4E (0.44) DRD2DRD1DRD5DRD3MAOA
SCHEMBL4699104 0.68 KDM4E (0.47) DRD2DRD1DRD5DRD3MAOA
SCHEMBL11818033 0.67 DRD2 (0.45) DRD2DRD1DRD5DRD3MAOA
SCHEMBL1990706 0.66 DRD1 (0.55) DRD2DRD1DRD5DRD3MAOA
SCHEMBL1988107 0.65 KDM4E (0.43) DRD2DRD1DRD5DRD3MAOA
SCHEMBL18537065 0.65 ALDH1A1 (0.43) DRD2DRD1DRD5DRD3KDM4E

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
US-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed