SCHEMBL23401381

SCHEMBL23401381

CCCCc1[nH]n(CCC)c(=O)c1CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL23402460 0.94 PDE4A (0.34) GRM5
SCHEMBL23398505 0.91 HTT (0.36) HTT
SCHEMBL23401459 0.88 MEN1 (0.32) HTTGRM5
SCHEMBL23401658 0.88 KDM4E (0.32) HTTGRM5
SCHEMBL23400826 0.88 PDE4A (0.34) —
SCHEMBL23399548 0.87 HTT (0.35) HTT
SCHEMBL23403494 0.86 HTT (0.34) HTT
SCHEMBL23402125 0.85 TYMP (0.35) HTT
SCHEMBL23401953 0.84 PDE4A (0.35) —
SCHEMBL23403381 0.84 GRM5 (0.31) GRM5

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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