SCHEMBL2470085

SCHEMBL2470085

O=S(=O)(NC1CC=CCC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.42
SLC22A12 Q96S37 3/20 0.41
SLC40A1 Q9NP59 1/20 0.41
MCHR1 Q99705 4/20 0.41
ADRA2A P08913 3/20 0.41
NPY5R Q15761 3/20 0.41
GSPT1 P15170 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.37
LIPE Q05469 4/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4433353 0.83 ALDH1A1 (0.52) ALPLSLC22A12SLC40A1MCHR1ADRA2A
SCHEMBL1723245 0.80 MCHR1 (0.47) ALPLSLC22A12SLC40A1MCHR1ADRA2A
SCHEMBL23052300 0.79 DRD2 (0.52) DRD2ADRA1DADRA1AADRA1B
SCHEMBL27999788 0.72 ALPL (0.53) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL10154346 0.70 ALPL (0.52) ALPLSLC22A12SLC40A1MAPTBRD4
SCHEMBL8229520 0.70 ALPL (0.52) ALPLSLC22A12SLC40A1MAPTBRD4
SCHEMBL418590 0.70 ALPL (0.52) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL28312855 0.70 SLC22A12 (0.54) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL6735794 0.69 ALPL (0.51) ALPLSLC22A12SLC40A1GSPT1DDB1
SCHEMBL3006664 0.68 MCHR1 (0.66) ALPLMCHR1ADRA2ANPY5RL3MBTL1

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
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed