SCHEMBL18936191

SCHEMBL18936191

COc1cncc(OC)c1-c1ccc(C2=CN(C(=O)N3CCCCC3Cc3ccccc3)NN2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 8/20 0.67
▸ DAGLB Q8NCG7 13/20 0.66
▸ ROCK2 O75116 1/20 0.46

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
SCHEMBL18935808 0.90 DAGLB (0.60) DAGLADAGLBROCK2
SCHEMBL18935800 0.82 DAGLA (0.50) DAGLADAGLB
SCHEMBL18936599 0.80 DAGLA (1.00) DAGLADAGLB
SCHEMBL18921263 0.80 DAGLB (1.00) DAGLADAGLB
SCHEMBL18936720 0.77 DAGLB (0.66) DAGLADAGLB
SCHEMBL18935804 0.72 DAGLB (1.00) DAGLADAGLB
SCHEMBL18921267 0.71 DAGLB (0.88) DAGLADAGLB
SCHEMBL20576109 0.71 DAGLB (1.00) DAGLADAGLB
SCHEMBL18935792 0.70 DAGLB (1.00) DAGLADAGLB
SCHEMBL20576725 0.70 DAGLB (1.00) DAGLADAGLB

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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