SCHEMBL5547601

SCHEMBL5547601

CC(C)(C)[N+]1(C(=O)[O-])CCC[C@H](CN)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PLG P00747 1/20 0.30
PLAT P00750 1/20 0.30
LMNA P02545 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
SCHEMBL3994294 1.00 CYP2D6 (0.35) CYP2D6MEN1TSHRKMT2APLG
SCHEMBL3824850 0.90 PLG (0.32) CYP2D6PLGPLATLMNA
SCHEMBL1693080 0.86 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL1692713 0.86 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL1840547 0.84 MEN1 (0.32) MEN1TSHRKMT2A
SCHEMBL1843043 0.84 MEN1 (0.32) MEN1TSHRKMT2A
SCHEMBL793843 0.79 MEN1 (0.34) MEN1TSHRKMT2A
SCHEMBL794100 0.79 MEN1 (0.34) MEN1TSHRKMT2A
SCHEMBL5968494 0.77 TSHR (0.35) MEN1TSHRKMT2ALMNA
SCHEMBL6421985 0.77 TSHR (0.35) MEN1TSHRKMT2ALMNA

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-1853604-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-11-14 EP disclosed
WO-2006096444-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 WO disclosed