SCHEMBL20825895

SCHEMBL20825895

C[C@@H](c1ccc(C(F)(F)F)cc1)C1COC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
TEAD1 P28347 4/20 0.39
HSD11B1 P28845 2/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
KIF11 P52732 3/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 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
SCHEMBL20811694 0.88 PDE2A (0.36) PDE2ATEAD1
SCHEMBL20811547 0.79 MAOA (0.37) PDE2ATEAD1KIF11CES2CES1
SCHEMBL20811548 0.79 MAOA (0.37) PDE2ATEAD1KIF11CES2CES1
Hydrochloric Acid SCHEMBL22206747 0.77 MAOA (0.36) PDE2ATEAD1KIF11CES2CES1
Hydrochloric Acid SCHEMBL22206746 0.77 MAOA (0.36) PDE2ATEAD1KIF11CES2CES1
SCHEMBL11869627 0.73 PDE2A (0.34) PDE2ATEAD1
SCHEMBL23211870 0.71 DPP4 (0.46) TEAD1AKR1C3AKR1C2CES2CES1
Formic Acid SCHEMBL21381688 0.71 KCNH2 (0.41) PDE2ATEAD1HSD11B1AKR1C3AKR1C2
SCHEMBL9227942 0.70 PDE2A (0.38) PDE2AKIF11
SCHEMBL23211932 0.70 TEAD1 (0.40) PDE2ATEAD1HSD11B1AKR1C3AKR1C2

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-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 WO disclosed