SCHEMBL2908604

SCHEMBL2908604

OCC[C@@H]1CCCN1.OCC[C@@H]1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 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
SCHEMBL5696915 1.00
SCHEMBL1190914 1.00
SCHEMBL197631 1.00
Hydrochloric Acid SCHEMBL6806287 0.98
Hydrochloric Acid SCHEMBL1516313 0.98
Hydrochloric Acid SCHEMBL21521716 0.98
SCHEMBL214440 0.93
SCHEMBL1010137 0.93
SCHEMBL891139 0.93
SCHEMBL4654415 0.91 CYP2D6 (0.48) FDPSCYP2D6KMT2AMEN1ALDH1A1

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-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO disclosed