SCHEMBL18935815

SCHEMBL18935815

CO[C@@H]1CC[C@H](Cc2ccccc2)N(C(=O)n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 18/20 0.61
▸ ABHD6 Q9BV23 8/20 0.61
▸ DAGLB Q8NCG7 5/20 0.55
▸ DDHD2 O94830 1/20 0.53

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
SCHEMBL18935818 1.00 DAGLA (0.61) DAGLAABHD6DAGLBDDHD2
SCHEMBL18935822 0.89 DAGLA (0.63) DAGLAABHD6DAGLBDDHD2
SCHEMBL18935825 0.89 DAGLA (0.63) DAGLAABHD6DAGLBDDHD2
SCHEMBL18921300 0.89 DAGLA (0.63) DAGLAABHD6DAGLBDDHD2
SCHEMBL18936394 0.87 DAGLA (0.56) DAGLAABHD6DAGLBDDHD2
SCHEMBL18935816 0.85 DAGLA (0.65) DAGLAABHD6DAGLB
SCHEMBL20575386 0.85 DAGLA (0.65) DAGLAABHD6DAGLB
SCHEMBL18936215 0.84 DAGLA (0.67) DAGLAABHD6DAGLBDDHD2
SCHEMBL18936213 0.84 DAGLA (0.67) DAGLAABHD6DAGLBDDHD2
SCHEMBL18936205 0.84 DAGLA (0.67) DAGLAABHD6DAGLBDDHD2

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
Send feedback