SCHEMBL5530623

SCHEMBL5530623

Cc1nc(-c2ccc(N3CC(CN4CCN(OC(=O)O)CC4)OC3=O)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
THRB P10828 1/20 0.41
DGAT1 O75907 1/20 0.40

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
SCHEMBL5530617 0.88 SIGMAR1 (0.45) SIGMAR1ITGB3ITGA2BTHRBDGAT1
SCHEMBL5533939 0.85 THRB (0.44) SIGMAR1ITGB3ITGA2BTHRB
SCHEMBL7393385 0.85 SIGMAR1 (0.48) SIGMAR1THRBDGAT1
SCHEMBL7386854 0.84 DGAT1 (0.42) SIGMAR1ITGB3ITGA2BDGAT1
SCHEMBL5535948 0.84 CCR2 (0.40) SIGMAR1ITGB3ITGA2BTHRBDGAT1
SCHEMBL7387185 0.84 TSHR (0.50) SIGMAR1
SCHEMBL7473955 0.83 MGLL (0.53) SIGMAR1ITGB3ITGA2BDGAT1
SCHEMBL7387950 0.83 THRB (0.45) SIGMAR1ITGB3ITGA2BTHRB
SCHEMBL7388767 0.83 SIGMAR1 (0.45) SIGMAR1ITGB3ITGA2BTHRBDGAT1
SCHEMBL7386012 0.83 LMNA (0.44) SIGMAR1ITGB3ITGA2BDGAT1

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
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP claimed