SCHEMBL14059259

SCHEMBL14059259

N#Cc1nnc2cc(-c3cccc(OCC4CC4)c3)ccc2c1NCCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.46
▸ NR1H4 Q96RI1 2/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ FABP1 P07148 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CTSA P10619 1/20 0.32

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
SCHEMBL14059769 0.87 LRRK2 (0.46) LRRK2
SCHEMBL14059858 0.82 LRRK2 (0.61) LRRK2
SCHEMBL14059855 0.82 LRRK2 (0.61) LRRK2
SCHEMBL14059623 0.82 LRRK2 (0.58) LRRK2
SCHEMBL14059181 0.82 LRRK2 (0.46) LRRK2PRKCQ
SCHEMBL14059647 0.82 LRRK2 (0.46) LRRK2PRKCQ
SCHEMBL14059133 0.81 LRRK2 (0.55) LRRK2
SCHEMBL14059470 0.79 FYN (0.42) LRRK2
SCHEMBL14059477 0.79 LRRK2 (0.46) LRRK2
SCHEMBL14059532 0.78 LRRK2 (0.44) LRRK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO claimed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO disclosed
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