SCHEMBL9756638

SCHEMBL9756638

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)c2OC(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.49
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
ACHE P22303 2/20 0.48
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
PTPN11 Q06124 1/20 0.47
KIT P10721 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PDE10A Q9Y233 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL9756677 0.91 KMT2A (0.47) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL9756680 0.90 MEN1 (0.55) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL9756685 0.89 SMN1; SMN2 (0.48) GBA1TLR9TLR7ADORA2AADORA1
SCHEMBL9756679 0.87 GBA1 (0.55) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL9668922 0.83 GPR119 (0.43) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL9671054 0.80 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL9756683 0.80 CASP1 (0.43) GBA1ACHEPTPN11MEN1KMT2A
SCHEMBL9756696 0.79 GPR119 (0.45) GBA1CKS1BSKP1SKP2ACHE
4-Methylbenzoic Acid SCHEMBL9671138 0.77 GBA1 (0.48) GBA1CKS1BSKP1SKP2ACHE
SCHEMBL27575995 0.75 GBA1 (0.50) GBA1CKS1BSKP1SKP2ACHE

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