SCHEMBL12205201

SCHEMBL12205201

CC(C)(C)OC(=O)N1CCC(CNc2cncc(Nc3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.56
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.48
RORC P51449 1/20 0.48
GPR119 Q8TDV5 9/20 0.47
SYK P43405 1/20 0.47
NR3C1 P04150 1/20 0.44
STS P08842 1/20 0.43
CRHR1 P34998 1/20 0.43

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
SCHEMBL12205335 0.87 KDM4E (0.55) TGFBR1KDM4EPKMGPR119SYK
SCHEMBL12247504 0.83 KDM4E (0.51) TGFBR1KDM4EPKMGPR119SYK
SCHEMBL4933145 0.81 GPR119 (0.51) TGFBR1KDM4EPKMGPR119
SCHEMBL15206132 0.80 IDO1 (0.53) TGFBR1KDM4EPKMGPR119SYK
SCHEMBL6148442 0.79 CYP2D6 (0.64) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL12205348 0.78 JAK1 (0.44) TGFBR1KDM4EPKMGPR119SYK
SCHEMBL12245529 0.78 CHRNB4 (0.47) CRHR1
SCHEMBL12225168 0.77 IDO1 (0.42) TGFBR1KDM4EPKMGPR119SYK
SCHEMBL12205243 0.76 CHRNB4 (0.48) CRHR1
SCHEMBL5548652 0.75 TGFBR1 (0.53) TGFBR1KDM4EPKMMAPTRORC

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-2377860-A1 Novel compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2011-10-19 EP disclosed