SCHEMBL25356221

SCHEMBL25356221

C=C(C)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.79
P2RX2 Q9UBL9 4/20 0.79
P2RX4 Q99571 2/20 0.68
NT5E P21589 1/20 0.68
GPR17 Q13304 1/20 0.67
P2RY1 P47900 4/20 0.65
P2RY2 P41231 3/20 0.65
P2RY6 Q15077 1/20 0.65
P2RY12 Q9H244 1/20 0.65
SRC P12931 1/20 0.62
P2RX1 P51575 1/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
DNPH1 O43598 2/20 0.62
RNASEL Q05823 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
MACROD2 A1Z1Q3 1/20 0.58
SIRT6 Q8N6T7 1/20 0.58
MACROD1 Q9BQ69 1/20 0.58

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
SCHEMBL25358180 0.99 P2RX3 (0.81) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL29564165 0.93 DNPH1 (0.70) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL218771 0.93 DNPH1 (0.70) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL9813389 0.90 P2RX3 (0.79) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL14178290 0.89 P2RX3 (0.83) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL30150740 0.89 ADORA1 (0.68) P2RX3P2RX2NT5EP2RY1P2RY2
SCHEMBL31029196 0.89 P2RX3 (0.86) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL29713176 0.88 P2RX3 (0.75) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL31396265 0.87 P2RX3 (0.77) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL23348012 0.87 P2RX3 (0.85) P2RX3P2RX2P2RX4NT5EGPR17

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
US-20230265444-A1 GENE-EDITING IN CANNABIS PLANT CANOPY GROWTH CORPORATION (CA) 2023-08-24 US disclosed