SCHEMBL18935832

SCHEMBL18935832

CC(C)(C)CN(CCc1cccnc1)C(=O)n1ncc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 9/20 1.00
DAGLB Q8NCG7 7/20 1.00
DDHD2 O94830 1/20 0.55
AHR P35869 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ABL1 P00519 1/20 0.36
IDO1 P14902 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
SCHEMBL18935852 0.91 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL18935831 0.90 DAGLA (1.00) DAGLADAGLBDDHD2ADRB2ADRB1
SCHEMBL18935782 0.87 DAGLA (1.00) DAGLADAGLBDDHD2AHRCYP3A4
SCHEMBL18935826 0.84 DAGLA (0.72) DAGLADAGLBDDHD2AHRCYP3A4
SCHEMBL20576133 0.80 DAGLA (0.66) DAGLADAGLBDDHD2AHRCYP3A4
SCHEMBL18935851 0.78 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL18921268 0.78 DAGLB (1.00) DAGLADAGLBDDHD2AHRADRB2
SCHEMBL18935850 0.77 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL18935859 0.73 DAGLA (1.00) DAGLADAGLBDDHD2
SCHEMBL20576782 0.73 DAGLA (0.69) DAGLADAGLBDDHD2

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