SCHEMBL22906608

SCHEMBL22906608

CCC(C)C(=O)N1CCN(CCCOC2CC(Oc3ccc(-c4ccc5c(c4)[nH]c4ccncc45)cn3)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 9/20 0.38
MTOR P42345 4/20 0.38
ATR Q13535 3/20 0.38
PIK3CA P42336 3/20 0.38
MAPT P10636 3/20 0.36
CYP4F2 P78329 1/20 0.36
LTA4H P09960 6/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 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
SCHEMBL20120731 0.87 TBK1 (0.43) ATMMTORATRPIK3CAMAPT
SCHEMBL29547748 0.87 TBK1 (0.43) ATMMTORATRPIK3CAMAPT
SCHEMBL20120729 0.87 TBK1 (0.43) ATMMTORATRPIK3CAMAPT
SCHEMBL20128900 0.87 TBK1 (0.43) ATMMTORATRPIK3CAMAPT
SCHEMBL20120325 0.84 MAPT (0.42) ATMMTORATRPIK3CAMAPT
SCHEMBL20128901 0.84 MAPT (0.42) ATMMTORATRPIK3CAMAPT
SCHEMBL20120327 0.84 MAPT (0.42) ATMMTORATRPIK3CAMAPT
SCHEMBL29547540 0.84 MAPT (0.42) ATMMTORATRPIK3CAMAPT
SCHEMBL20128893 0.82 TBK1 (0.44) CYP4F2
SCHEMBL20128890 0.79 MAPT (0.42) ATMMTORATRPIK3CAMAPT

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
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed