SCHEMBL18936262

SCHEMBL18936262

C#CCO[C@@H]1CC[C@H](Cc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.55
DAGLA Q9Y4D2 5/20 0.55
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
DPP4 P27487 1/20 0.41
ABCB1 P08183 2/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
STS P08842 1/20 0.39
HDAC1 Q13547 1/20 0.39
KLK7 P49862 3/20 0.38
HCRTR2 O43614 1/20 0.37
CETP P11597 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL20576126 0.86 ABHD6 (0.58) ABHD6DAGLAABCB1
SCHEMBL18935778 0.85 ABHD6 (0.54) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL273407 0.80 NR1H2 (0.59) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL271604 0.80 NR1H2 (0.59) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL5637318 0.80 NR1H2 (0.59) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL18936258 0.80 NR1H2 (0.50) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL18935776 0.80 NR1H2 (0.50) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL23632150 0.78 ABCB1 (0.51) NR1H2NR1H3ABCB1JAK2JAK1
SCHEMBL14457250 0.77 ABCB1 (0.58) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL28334140 0.77 NR1H2 (0.56) DAGLANR1H2NR1H3DPP4ABCB1

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