SCHEMBL23399489

SCHEMBL23399489

CCn1ncc(O)c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.31
HASPIN Q8TF76 1/20 0.30
CYP11B2 P19099 1/20 0.30
XDH P47989 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL23399266 0.85 POLB (0.39) CNR1
SCHEMBL23399815 0.82 CNR1 (0.35) CNR1
SCHEMBL23401219 0.79 HTR2A (0.35)
SCHEMBL13545651 0.78 HTT (0.37) HTTCYP11B2XDHGAAKMT2A
SCHEMBL19498013 0.78 HTT (0.33) HTTCYP11B2XDHGAAKMT2A
SCHEMBL23399914 0.77
SCHEMBL21721729 0.76 HTT (0.33) HTTCYP11B2XDHGAAKMT2A
SCHEMBL19498014 0.76 ALDH1A1 (0.39) HTTCYP11B2XDHGAAKMT2A
SCHEMBL15292249 0.76 HTT (0.39) HTTCYP11B2GAAKMT2A
SCHEMBL21721553 0.73 CNR1 (0.33) HTTCNR1

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