SCHEMBL28377828

SCHEMBL28377828

NC(=O)O[C@@H]1CCCC[C@H]1N1CCOCC1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC18A3 Q16572 2/20 0.31
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL28377953 0.81 NAAA (0.35) SLC18A3
SCHEMBL28886387 0.79 TSHR (0.38) SMN1; SMN2SLC18A3
SCHEMBL28377113 0.78 DPP4 (0.34) SLC18A3
SCHEMBL28376820 0.76 DPP4 (0.32) SLC18A3
SCHEMBL28887268 0.75 CDA (0.36) SLC18A3
Hydrochloric Acid SCHEMBL20959514 0.74 F10 (0.31) —
SCHEMBL28380647 0.72 SLC18A3 (0.34) SLC18A3
SCHEMBL21800108 0.72 TSHR (0.33) —
SCHEMBL20959070 0.71 F10 (0.38) POLBGAASMN1; SMN2
SCHEMBL15972321 0.71 DGAT1 (0.38) POLBGAASMN1; SMN2

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-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 — — CN disclosed
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