SCHEMBL8218482

SCHEMBL8218482

CC(C)(C)OC(=O)N(CCO)C1CCC(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CCR5 P51681 1/20 0.33
SSTR4 P31391 1/20 0.33
MT-CO2 P00403 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ASGR1 P07306 1/20 0.32
CA14 Q9ULX7 1/20 0.31
HSD11B1 P28845 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15285331 0.88 CA14 (0.36) NFKB1NFKB2RELACCR5SSTR4
SCHEMBL10323856 0.84 CA14 (0.34) NFKB1NFKB2RELASSTR4ASGR1
SCHEMBL1067463 0.83 EPHX1 (0.36) CA14HSD11B1
SCHEMBL1238808 0.82 CA14 (0.33) NFKB1NFKB2RELACCR5SSTR4
SCHEMBL2660690 0.82 CA14 (0.33) NFKB1NFKB2RELACCR5SSTR4
SCHEMBL13641157 0.82 ASGR1 (0.33) NFKB1NFKB2RELACCR5SSTR4
SCHEMBL10325232 0.82 ASGR1 (0.33) NFKB1NFKB2RELACCR5SSTR4
SCHEMBL20674336 0.81 SLC6A4 (0.35) CA14
SCHEMBL20673952 0.80 GPR119 (0.36) NFKB1NFKB2RELACCR5MT-CO2
SCHEMBL25447696 0.79 PIK3CD (0.36) NFKB1NFKB2RELACCR5GPR119

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
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed