SCHEMBL27865239

SCHEMBL27865239

CC(C(=O)C(C)N1CCC(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)CC1)N1CCC(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.50
MAPK1 P28482 2/20 0.37
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3764042 0.87 LRRK2 (0.49) LRRK2
SCHEMBL3769228 0.84 LRRK2 (0.49) LRRK2
SCHEMBL3780407 0.81 LRRK2 (0.51) LRRK2
SCHEMBL19564547 0.79 LRRK2 (0.53) LRRK2
SCHEMBL3768568 0.78 LRRK2 (0.52) LRRK2
SCHEMBL3762010 0.78 LRRK2 (0.60) LRRK2
SCHEMBL3775929 0.78 LRRK2 (0.60) LRRK2
SCHEMBL382421 0.77 LRRK2 (0.53) LRRK2
SCHEMBL3762186 0.77 LRRK2 (0.52) LRRK2
SCHEMBL16864483 0.77 LRRK2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428084-A Compounds MEDICAL RES COUNCIL TECHNOLOGY 2012-04-25 CN disclosed