SCHEMBL18935652

SCHEMBL18935652

O=C(N1CCNCC1Cc1ccccc1)n1ncc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 15/20 0.54
DAGLB Q8NCG7 7/20 0.54
DDHD2 O94830 1/20 0.52
ABHD6 Q9BV23 3/20 0.48
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL18936205 0.86 DAGLA (0.67) DAGLADAGLBDDHD2ABHD6
SCHEMBL18936213 0.86 DAGLA (0.67) DAGLADAGLBDDHD2ABHD6
SCHEMBL18936215 0.86 DAGLA (0.67) DAGLADAGLBDDHD2ABHD6
SCHEMBL20575954 0.84 DAGLA (0.60) DAGLADAGLBDDHD2ABHD6
SCHEMBL18936338 0.84 DAGLA (0.67) DAGLADAGLBABHD6
SCHEMBL20575956 0.84 DAGLA (0.60) DAGLADAGLBDDHD2ABHD6
SCHEMBL20576014 0.84 DAGLA (0.60) DAGLADAGLBDDHD2ABHD6
SCHEMBL20576205 0.81 DAGLA (0.63) DAGLADAGLBDDHD2ABHD6
SCHEMBL18921254 0.81 DAGLA (0.58) DAGLADAGLBDDHD2ABHD6
SCHEMBL18935802 0.80 DAGLA (0.75) DAGLADAGLBDDHD2ABHD6

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