SCHEMBL9756696

SCHEMBL9756696

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)c2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
GBA1 P04062 4/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
TLR9 Q9NR96 2/20 0.44
ACHE P22303 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PTPN11 Q06124 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT5A Q9NQR1 1/20 0.42
PDE10A Q9Y233 1/20 0.42
HPGD P15428 1/20 0.42

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
4-Methylbenzoic Acid SCHEMBL9671138 0.87 GBA1 (0.48) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL9668922 0.86 GPR119 (0.43) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL15921897 0.84 CKS1B (0.55) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL10297496 0.84 GPR119 (0.55) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL9756698 0.82 GPR119 (0.43) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL9669980 0.81 GBA1 (0.56) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL15921394 0.81 MEN1 (0.54) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL9756638 0.79 GBA1 (0.49) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL9756677 0.78 KMT2A (0.47) GPR119GBA1CKS1BSKP1SKP2
SCHEMBL19385278 0.78 TLR9 (0.73) TLR9TLR7ALDH1A1KMT5AHPGD

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
WO-1991011453-A2 5-OXYGENATED-2,4,6-TRIAMINOPYRIMIDINES THE UPJOHN COMPANY (US) 1991-08-08 WO claimed