SCHEMBL27574604

SCHEMBL27574604

CC(C)(C)OC(=O)N1CCN(Cc2ccc(CN)c(N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 1/20 0.44
TBK1 Q9UHD2 6/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 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
GLS O94925 2/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 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
SCHEMBL28449818 0.88 VEGFA (0.49) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL30038994 0.88 VEGFA (0.49) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL28659906 0.86 KMT2A (0.49) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL7238782 0.86 IDO1 (0.48) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL3731353 0.85 VEGFA (0.53) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL24507281 0.85 IDO1 (0.49) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL5481602 0.85 VEGFA (0.52) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL30560055 0.85 IDO1 (0.49) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL21198803 0.84 VEGFA (0.55) VEGFAEGLN1IDO1TDO2IDO2
SCHEMBL5470260 0.83 VEGFA (0.50) VEGFAEGLN1IDO1TDO2IDO2

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
CN-1330657-C Piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2007-08-08 CN disclosed