SCHEMBL3423587

SCHEMBL3423587

C#CCN1CCc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
PHGDH O43175 1/20 0.39
MAOB P27338 5/20 0.39
ACACB O00763 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAOA P21397 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NAMPT P43490 1/20 0.36
NOTUM Q6P988 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 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
SCHEMBL6466785 0.82 DRD2 (0.51) DRD2PHGDHACACBMEN1KMT2A
SCHEMBL19962315 0.80 DRD2 (0.49) DRD2PHGDHACACBMEN1KMT2A
SCHEMBL19969739 0.80 DRD2 (0.54) DRD2PHGDHACACBKMT2A
SCHEMBL4382315 0.78 DRD2 (0.50) DRD2ACACB
SCHEMBL3450752 0.75 KDM4E (0.49) DRD2MAOBMAOA
SCHEMBL30443592 0.75 KDM4E (0.49) DRD2MAOBMAOA
SCHEMBL12852534 0.74 MAOA (0.52) DRD2PHGDHMAOBMAOAADRA2A
SCHEMBL2930889 0.72 PHGDH (0.50) DRD2PHGDHACACBMEN1KMT2A
SCHEMBL17124796 0.72 PHGDH (0.44) DRD2PHGDHMAOBACACBMEN1
SCHEMBL3398601 0.71 ACACB (0.47) DRD2PHGDHMAOBACACBMAOA

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-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed