SCHEMBL28633671

SCHEMBL28633671

CC(C)(C)C1CC(F)(F)CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33

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
SCHEMBL12384278 0.80 CHRM2 (0.35)
SCHEMBL16212051 0.75 DPP4 (0.35) DPP4
SCHEMBL28063493 0.75 DPP4 (0.35) DPP4
SCHEMBL16992255 0.75 DPP4 (0.35) DPP4
SCHEMBL27089326 0.72 DPP4 (0.33) DPP4
SCHEMBL27089331 0.72 DPP4 (0.33) DPP4
SCHEMBL750378 0.71 MAPK1 (0.35) DPP4
SCHEMBL3512916 0.71 GRM2 (0.36) DPP4
SCHEMBL6919995 0.71 GRM2 (0.36) DPP4
SCHEMBL4254372 0.71 GRM2 (0.36) DPP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113395993-B Heterocyclic compounds and their use 武田药品工业株式会社 2024-02-20 CN disclosed
CN-113395993-A Heterocyclic compounds and their use 武田药品工业株式会社 2021-09-14 CN disclosed