SCHEMBL17898767

SCHEMBL17898767

COc1ccnc(C(=O)N[C@H]2COCCC[C@@H](CCC(C)C)[C@H](C)OC2=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL19088918 0.95 PDE4D (0.34) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL19084190 0.91 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL17427115 0.90 PDE4D (0.34) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL17899005 0.89 PDE4D (0.33) PDE4D
SCHEMBL19088919 0.88 PDE4D (0.34) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL17428168 0.87
SCHEMBL17418875 0.87 F2R (0.31)
SCHEMBL16603782 0.85 PDE4D (0.30) PDE4D
SCHEMBL19088927 0.85 TAS1R3 (0.33) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL16605181 0.85 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed