SCHEMBL12467970

SCHEMBL12467970

O=C(c1nccc(F)c1F)N(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.47
MTNR1A P48039 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
RAB9A P51151 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
HTR2A P28223 2/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 2/20 0.41
TACR1 P25103 2/20 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
SCHEMBL526963 0.81 AGER (0.46) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL528019 0.79 MBTPS1 (0.45) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL3811903 0.78 DCUN1D1 (0.58) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL21410210 0.77 DCUN1D1 (0.57) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL15521608 0.75 DCUN1D1 (0.60) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL6622412 0.73 DCUN1D1 (0.54) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL619150 0.73 SLC6A2 (0.71) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL5744569 0.73 DCUN1D1 (0.52) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL2233154 0.72 AGER (0.58) AGERMTNR1ADCUN1D1SLC6A2SLC6A4
SCHEMBL2233149 0.72 AGER (0.58) AGERMTNR1ADCUN1D1SLC6A2SLC6A4

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