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SCHEMBL3268644

SCHEMBL3268644

O=C(C(C(C(=O)N1CCOCC1)[C@@H]1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1)[C@@H]1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1)N1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ F10 P00742 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE9A O76083 3/20 0.31

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
SCHEMBL3027139 0.97 LRRK2 (0.32) LRRK2HRH3TTK
SCHEMBL15005710 0.89 LRRK2 (0.32) LRRK2HRH3TTKF10MEN1
SCHEMBL15005401 0.87 LRRK2 (0.31) LRRK2
SCHEMBL3728600 0.86 MAPT (0.32) LRRK2TTKMAPT
SCHEMBL1277678 0.85 TTK (0.36) LRRK2TTKF10ALDH1A1MAPT
SCHEMBL1277673 0.85 TTK (0.36) LRRK2TTKF10ALDH1A1MAPT
SCHEMBL3024171 0.84 — —
SCHEMBL3024165 0.84 — —
SCHEMBL3024655 0.83 L3MBTL1 (0.31) HRH3
SCHEMBL3021292 0.82 — —

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-2220081-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG Life Sciences Ltd. (KR) 2010-08-25 — — EP disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 — — WO disclosed