SCHEMBL115666

SCHEMBL115666

CC(C)(C)OC(=O)N1CCN(CCc2ccc(F)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
ACKR3 P25106 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GPR4 P46093 1/20 0.42
PLK1 P53350 1/20 0.42
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL114519 0.88 VEGFA (0.50) GPR119VEGFAEGLN1CHRM2CHRM4
SCHEMBL14190954 0.87 GPR4 (0.47) GPR119VEGFAEGLN1ACKR3CHRM2
SCHEMBL3708001 0.84 HTR2A (0.52) CHRM2CHRM4CHRM1CHRM3PLK1
SCHEMBL116110 0.83 GPR119 (0.47) GPR119
SCHEMBL113688 0.83 GPR119 (0.47) GPR119
SCHEMBL6822757 0.81 VEGFA (0.45) VEGFAEGLN1ACKR3CHRM2CHRM4
SCHEMBL116524 0.81 GPR119 (0.41) GPR119ACKR3CHRM2CHRM4CHRM1
SCHEMBL2850833 0.80 KDM1A (0.48) GPR119VEGFAEGLN1ACKR3CHRM2
SCHEMBL4572803 0.79 SIGMAR1 (0.48) VEGFAEGLN1ACKR3CHRM2CHRM4
SCHEMBL22800905 0.79 SIGMAR1 (0.48) VEGFAEGLN1ACKR3CHRM2CHRM4

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