SCHEMBL18935829

SCHEMBL18935829

O=C(N(CCc1ccccc1)C1CC1)n1ncc(-c2ccc(O)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 10/20 0.74
▸ DAGLB Q8NCG7 7/20 0.74
▸ DDHD2 O94830 1/20 0.68
▸ OPRM1 P35372 4/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ OPRD1 P41143 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ MGLL Q99685 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL18935859 0.85 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL18935828 0.83 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL18935850 0.70 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL18935852 0.66 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL7085169 0.66 MTOR (0.46) ESR1
SCHEMBL7466231 0.65 L3MBTL3 (0.50) —
SCHEMBL13503734 0.62 OPRM1 (0.48) DAGLADAGLBOPRM1PKM
SCHEMBL22901703 0.62 DAGLA (0.63) DAGLAMGLLTRPV1
SCHEMBL12204153 0.62 OPRM1 (0.50) OPRM1PKM
SCHEMBL14668250 0.61 L3MBTL1 (0.63) OPRM1PKMOPRD1OPRK1

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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