SCHEMBL8312657

SCHEMBL8312657

CC(C)(C)OC(=O)n1cncc1CCO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.36
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
BCHE P06276 1/20 0.34
CYP11B2 P19099 2/20 0.33
HTR6 P50406 1/20 0.33
FAAH O00519 1/20 0.33
IDO1 P14902 1/20 0.32
NR1H2 P55055 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BUB1 O43683 1/20 0.32
CYP11B1 P15538 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
SCHEMBL4149607 0.88 PIM1 (0.37) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL2789678 0.85 NR1H2 (0.38) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL16060936 0.83 PIM1 (0.36) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL20864185 0.83 FAAH (0.43) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL15874826 0.82 TBXAS1 (0.46) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL6555080 0.82 PIM1 (0.35) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL7654635 0.76 PIM1 (0.39) GPR119PIM1MARK3MAP4K2CAMK2B
SCHEMBL18536815 0.75 CYP11B1 (0.48) CYP11B2L3MBTL1CYP11B1
SCHEMBL406298 0.75 ATM (0.38)
SCHEMBL9516130 0.74 PIM1 (0.38) GPR119PIM1MARK3MAP4K2CAMK2B

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-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed