SCHEMBL7977926

SCHEMBL7977926

CN1C(=O)COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)nc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2C P28335 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL7964390 0.88 TERT (0.33) TERT
SCHEMBL7977886 0.87 SLC5A1 (0.36) TERTHTR1ADRD2DRD3
SCHEMBL7978010 0.84 DRD2 (0.32) TERTDRD2DRD3
SCHEMBL7977920 0.80 NR3C2 (0.45)
SCHEMBL12188290 0.73 HTR1A (0.37) PDE3BPDE3ACYP11B1CYP11B2HTR1A
SCHEMBL7980627 0.72
SCHEMBL7965406 0.71
SCHEMBL12981165 0.68 PIK3CG (0.36)
SCHEMBL7975782 0.68 SLC5A1 (0.37) DRD2DRD3
SCHEMBL17813516 0.67 HTR1D (0.41) TERTPDE3BPDE3AGABRG2GABRB3

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-2001030782-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-03 WO disclosed