SCHEMBL3971167

SCHEMBL3971167

NC(=O)c1nccc(C2CC2)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
MAP2K3 P46734 1/20 0.38
IKBKB O14920 4/20 0.37
CAMKK2 Q96RR4 3/20 0.36
CAMKK1 Q8N5S9 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAP2 P11137 2/20 0.35
MAP2K1 Q02750 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CHUK O15111 1/20 0.35
KCNA3 P22001 1/20 0.35
IDO1 P14902 1/20 0.35
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34

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
SCHEMBL3971163 0.77 ADORA2A (0.41) ADORA2AMAP2K3IKBKBCAMKK2CAMKK1
SCHEMBL16741044 0.76 OPRM1 (0.34) CAMKK2IDO1
SCHEMBL23067310 0.76 MAP2K3 (0.50) ADORA2AMAP2K3IKBKBMAP2MAP2K1
SCHEMBL2848953 0.76 ADORA2A (0.46) ADORA2AMAP2K3IKBKBMAP2MAP2K1
SCHEMBL9206473 0.76 CNR1 (0.36) CAMKK2IDO1KDM4E
SCHEMBL32683865 0.75 OPRM1 (0.43) IDO1KDM4E
SCHEMBL2241353 0.74 HCRTR1 (0.43) KDM4E
SCHEMBL978876 0.74 IKBKB (0.33) ADORA2AIKBKBCAMKK2CAMKK1MAP2
Formamide SCHEMBL29058737 0.72 ADORA2A (0.42) ADORA2AMAP2K3IKBKBMAP2MAP2K1
SCHEMBL12495395 0.72 KDM4E (0.47) ADORA2AMAP2K3IKBKBMAP2MAP2K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed