SCHEMBL115872

SCHEMBL115872

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCc1cnc(F)c(B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.42
SETD7 Q8WTS6 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MET P08581 1/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL116601 1.00 GPR119 (0.42) GPR119SETD7PARP1PARP2MET
SCHEMBL116524 0.84 GPR119 (0.41) GPR119
SCHEMBL116110 0.83 GPR119 (0.47) GPR119SETD7
SCHEMBL113688 0.83 GPR119 (0.47) GPR119SETD7
SCHEMBL115588 0.77 IDO1 (0.44) GPR119
SCHEMBL3118258 0.76 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL3103594 0.76 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL3101945 0.76 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL3103063 0.76 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL3101956 0.76 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1

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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed