SCHEMBL6853186

SCHEMBL6853186

NS(=O)(=O)N1CCN(Cc2cc3ccccc3nc2-c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
FAAH O00519 1/20 0.43
PIK3CD O00329 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ADORA2A P29274 6/20 0.40
ADORA1 P30542 6/20 0.40
BACE1 P56817 1/20 0.40
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKT1 P31749 2/20 0.38
PIK3C2B O00750 1/20 0.38

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
SCHEMBL6854970 0.83 KMT2A (0.50) FAAHPDE10AKCNH2KDM4EMEN1
SCHEMBL6853013 0.82 HRH3 (0.48) FAAHPIK3CDPDE10ABACE1TDP1
SCHEMBL5442168 0.81 PDE10A (0.43) FAAHPIK3CDPDE10AADORA2AADORA1
SCHEMBL5945358 0.80 SLC2A1 (0.46) FAAHPIK3CDPDE10ATACR3PIK3CG
SCHEMBL6853072 0.80 ADORA2A (0.53) FAAHADORA2AADORA1TACR3MEN1
SCHEMBL6848935 0.79 SLC2A1 (0.44) FAAHPIK3CDPDE10ABACE1TACR3
SCHEMBL6853077 0.79 HTR2B (0.49) FAAHKDM4EKMT2A
SCHEMBL5908682 0.79 FAAH (0.42) FAAHPIK3CDPDE10ABACE1TDP1
SCHEMBL6848678 0.79 TACR2 (0.53) FAAHPIK3CDPDE10ABACE1TACR3
SCHEMBL6853643 0.78 TSHR (0.55) KDM4EMEN1KMT2ANPSR1

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
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed