SCHEMBL19088918

SCHEMBL19088918

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CTSK P43235 1/20 0.31
PDE10A Q9Y233 1/20 0.30
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 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
SCHEMBL17898767 0.95 PDE4D (0.33) PDE4DTAS1R3TAS1R1TAS1R2
SCHEMBL17427115 0.93 PDE4D (0.34) PDE4DCNR1CNR2TAS1R3TAS1R1
SCHEMBL19088919 0.92 PDE4D (0.34) PDE4DCNR1CNR2TAS1R3TAS1R1
SCHEMBL19088927 0.90 TAS1R3 (0.33) PDE4DTAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL19084190 0.89 TAS1R3 (0.35) CNR2TAS1R3TAS1R1TAS1R2PDE10A
SCHEMBL19089230 0.89 PDE4D (0.34) PDE4DCNR1CNR2
SCHEMBL17428168 0.88
SCHEMBL19088924 0.87 PDE4D (0.36) PDE4D
SCHEMBL19089224 0.87 PDE4D (0.33) PDE4D
SCHEMBL17418875 0.86 F2R (0.31)

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-2017116949-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 WO disclosed