SCHEMBL28601565

SCHEMBL28601565

CC(C)(C)NC(=O)O[C@@H]1CCCN(c2cccc(OCC(F)(F)F)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.42
FFAR4 Q5NUL3 1/20 0.39
MAP4K4 O95819 2/20 0.39
NTMT1 Q9BV86 2/20 0.39

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
SCHEMBL28597898 0.85 GPR119 (0.45) ACACBFFAR4MAP4K4
SCHEMBL28597897 0.85 GPR119 (0.45) ACACBFFAR4MAP4K4
SCHEMBL28601568 0.80 MAP4K4 (0.59) MAP4K4
SCHEMBL28601566 0.80 MAP4K4 (0.59) MAP4K4
SCHEMBL28614161 0.77 ACACB (0.45) ACACB
SCHEMBL28918751 0.76 ACACB (0.53) ACACB
SCHEMBL22187895 0.76 MAP4K4 (0.47) MAP4K4
SCHEMBL28605616 0.76 ACACB (0.47) ACACB
SCHEMBL29265663 0.75 ACACB (0.43) ACACB
Hydrochloric Acid SCHEMBL28597996 0.75 MAP4K4 (0.46) MAP4K4

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
CN-113164461-A Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers 拉夸里亚创药株式会社 2021-07-23 CN disclosed