SCHEMBL3407090

SCHEMBL3407090

CN(CC1CCNCC1)c1ncc2c(n1)CCN(S(C)(=O)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F12 P00748 8/20 0.35
CNR2 P34972 2/20 0.34
F2 P00734 3/20 0.34
MAPK1 P28482 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2248693 0.85 ALDH1A1 (0.37) F12CNR2F2PDE10ACDK2
SCHEMBL2248670 0.77 ITGB3 (0.36) CNR2HSP90AA1
SCHEMBL2249737 0.75 FLT3 (0.40) CNR2MAPK1CCNE1CDK2HSP90AA1
SCHEMBL3405724 0.74 CNR2 (0.32) CNR2MAPK1PDE10A
SCHEMBL2246328 0.72 GPR119 (0.45)
SCHEMBL2248657 0.72 GPR119 (0.41) NPC1RAB9A
SCHEMBL2248264 0.70 GPR119 (0.42) HSP90AA1
SCHEMBL13003704 0.70 HSP90AA1 (0.44) PDE10AHSP90AA1NPC1RAB9A
SCHEMBL2249696 0.69 PDGFRB (0.47) NPC1RAB9A
SCHEMBL2181393 0.69 ESR1 (0.41) HSP90AA1NPC1RAB9A

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-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP claimed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO claimed