SCHEMBL7682161

SCHEMBL7682161

CN1CCN(Cc2cncc(N3CCOCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
CHKA P35790 1/20 0.44
LRRK2 Q5S007 1/20 0.43
PIK3CA P42336 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
BRAF P15056 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41

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
SCHEMBL19116555 0.79 NOS3 (0.55) NOS3NOS1LRRK2PRMT5WDR77
SCHEMBL14032704 0.79 KDM4E (0.45) NOS3NOS1DRD4CHKAPIK3CA
SCHEMBL5131625 0.78 LMNA (0.49) DRD4CHKAPIK3CAPRMT6TMEM97
SCHEMBL30240793 0.76 NOS3 (0.52) NOS3NOS1LRRK2PRMT5WDR77
SCHEMBL3740610 0.76 NOS3 (0.52) NOS3NOS1LRRK2PIK3CAPRMT5
SCHEMBL29203405 0.76 NOS3 (0.52) NOS3NOS1LRRK2PRMT5WDR77
SCHEMBL12205229 0.75 LRRK2 (0.51) NOS3NOS1LRRK2
SCHEMBL13778529 0.74 MC4R (0.49) DRD2DRD4DRD3CHKAPRMT6
SCHEMBL19087150 0.74 NOS3 (0.54) NOS3NOS1DRD2DRD4DRD3
SCHEMBL14782170 0.73 LMNA (0.57) NOS3NOS1DRD2DRD4DRD3

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-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed