SCHEMBL116524

SCHEMBL116524

CC(C)(C)OC(=O)N1CCN(CCc2cnc(F)c(B(O)O)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.41
ACKR3 P25106 5/20 0.41
PLK1 P53350 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GPR4 P46093 1/20 0.39
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL115588 0.89 IDO1 (0.44) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL116601 0.84 GPR119 (0.42) GPR119
SCHEMBL115872 0.84 GPR119 (0.42) GPR119
SCHEMBL115666 0.81 GPR119 (0.44) GPR119ACKR3PLK1CHRM2CHRM4
SCHEMBL14190954 0.77 GPR4 (0.47) GPR119ACKR3CHRM2CHRM4CHRM1
SCHEMBL23303996 0.77 CHRM2 (0.46) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL3708001 0.77 HTR2A (0.52) PLK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL6822757 0.76 VEGFA (0.45) ACKR3PLK1CHRM2CHRM4CHRM1
SCHEMBL116522 0.75 CYP3A4 (0.46) GPR119
SCHEMBL116523 0.75 CYP3A4 (0.46) GPR119

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