SCHEMBL26066744

SCHEMBL26066744

CC(N)C(=O)NCCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.37
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
DPP4 P27487 1/20 0.35
IDO1 P14902 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
SLC15A1 P46059 1/20 0.34
CFTR P13569 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMYD3 Q9H7B4 2/20 0.32

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
SCHEMBL15801448 1.00 TERT (0.37) TERTANPEPDNPEPPSEN1PSEN2
Hydrochloric Acid SCHEMBL15792148 0.98 TERT (0.36) TERTANPEPDNPEPPSEN1PSEN2
Hydrochloric Acid SCHEMBL15792150 0.98 TERT (0.36) TERTANPEPDNPEPPSEN1PSEN2
SCHEMBL9151 0.83 KMT2A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17152599 0.82 ANPEP (0.44) ANPEPDNPEPDPP7S1PR2S1PR1
SCHEMBL12391779 0.82 SIGMAR1 (0.39) TERTANPEPDNPEPDPP4USP2
SCHEMBL4115911 0.81 DPP4 (0.40) ANPEPDNPEPPSEN1PSEN2APH1B
SCHEMBL9140084 0.80 USP2 (0.50) TERTANPEPDNPEPDPP4USP2
SCHEMBL9140089 0.80 USP2 (0.50) TERTANPEPDNPEPDPP4USP2
SCHEMBL2580662 0.79 CTSS (0.40) TERTPSEN1PSEN2APH1BNCSTN

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-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed