SCHEMBL18935617

SCHEMBL18935617

O=C(N1CCCCC1)n1ncc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LYPLA2 O95372 2/20 0.79
▸ DAGLA Q9Y4D2 18/20 0.61
▸ ABHD6 Q9BV23 16/20 0.61
▸ LYPLA1 O75608 1/20 0.57
▸ ABHD11 Q8NFV4 1/20 0.51

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
SCHEMBL30307838 0.72 LYPLA2 (1.00) LYPLA2DAGLAABHD6LYPLA1ABHD11
SCHEMBL22901703 0.64 DAGLA (0.63) LYPLA2DAGLALYPLA1
SCHEMBL1508235 0.62 ALOX5 (0.50) —
SCHEMBL12834756 0.62 SMN1; SMN2 (0.48) —
SCHEMBL17761098 0.61 ALDH1A1 (0.54) LYPLA2
SCHEMBL3355334 0.60 HPGD (0.80) —
Fluorobenzene SCHEMBL28159220 0.60 HPGD (0.55) —
SCHEMBL18867940 0.60 HPGD (0.80) —
SCHEMBL17281605 0.60 HPGD (0.47) LYPLA2
SCHEMBL12833774 0.59 RAB9A (0.73) —

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
WO-2017096315-A1 TRIAZOLE DAGL(α) INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-08 — — WO disclosed
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