SCHEMBL528019

SCHEMBL528019

COc1cccnc1C(=O)N(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 4/20 0.45
AGER Q15109 2/20 0.45
MTNR1A P48039 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
F10 P00742 1/20 0.44
PLAU P00749 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR2A P28223 2/20 0.41
TACR1 P25103 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL12467970 0.79 AGER (0.47) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL3811903 0.76 DCUN1D1 (0.58) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL21410210 0.75 DCUN1D1 (0.57) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL619150 0.74 SLC6A2 (0.71) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL15521608 0.73 DCUN1D1 (0.60) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL22797899 0.72 SLC6A2 (0.70) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL526963 0.72 AGER (0.46) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL6622412 0.71 DCUN1D1 (0.54) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL6633233 0.70 DCUN1D1 (0.60) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL27787053 0.70 SLC6A4 (0.61) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2

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
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed