SCHEMBL8036147

SCHEMBL8036147

COc1ccc2c(c1)c1c(n2C)C(C)N(C(C)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A4 P31645 1/20 0.47
MTNR1A P48039 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPKAPK2 P49137 1/20 0.41
MAPT P10636 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8035979 0.88 HSD17B10 (0.49) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL8039625 0.83 AKR1B10 (0.46) SLC6A4MTNR1ASMN1; SMN2HSD17B10MAPKAPK2
SCHEMBL11355122 0.76 KDM4E (0.51) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL2707877 0.74 MAPKAPK2 (0.62) SMN1; SMN2MAPKAPK2MAPTBAZ2BALDH1A1
SCHEMBL11824158 0.73 DRD2 (0.54) DRD2DRD1DRD5DRD3SLC6A4
SCHEMBL6239283 0.72 MAPKAPK2 (0.58) DRD2DRD1DRD5DRD3SLC6A4
SCHEMBL15241465 0.72 MAPT (0.55) SMN1; SMN2MAPKAPK2MAPTMEN1KMT2A
SCHEMBL7843326 0.72 NOTUM (0.47) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL6234161 0.71 MAPKAPK2 (0.59) MTNR1ASMN1; SMN2MAPKAPK2MAPT
SCHEMBL14363768 0.71 SLC6A4 (0.48) DRD2DRD1DRD5DRD3SLC6A4

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