SCHEMBL9813389

SCHEMBL9813389

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

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.79
P2RX2 Q9UBL9 5/20 0.79
P2RX4 Q99571 2/20 0.73
P2RY1 P47900 4/20 0.70
P2RY2 P41231 3/20 0.70
P2RY12 Q9H244 2/20 0.70
P2RY6 Q15077 1/20 0.70
GPR17 Q13304 1/20 0.69
NT5E P21589 1/20 0.68
P2RX1 P51575 2/20 0.64
SRC P12931 1/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
DNPH1 O43598 2/20 0.64
RNASEL Q05823 1/20 0.62
MACROD2 A1Z1Q3 1/20 0.61
SIRT6 Q8N6T7 1/20 0.61
MACROD1 Q9BQ69 1/20 0.61
TRPM2 O94759 1/20 0.61

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 0.91 P2RX3 (0.81) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL25356221 0.90 P2RX3 (0.79) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL14178290 0.89 P2RX3 (0.83) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL31029196 0.89 P2RX3 (0.86) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL4208216 0.88 P2RX3 (0.84) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL4425399 0.87 P2RX3 (0.78) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL23348012 0.87 P2RX3 (0.85) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL4217929 0.87 P2RX3 (0.82) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL8738522 0.87 P2RX3 (0.82) P2RX3P2RX2P2RX4P2RY1P2RY2
SCHEMBL13033868 0.87 P2RX3 (0.84) P2RX3P2RX2P2RX4P2RY1P2RY2

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
EP-0247819-B1 PROCESS FOR PRODUCING DIADENOSINE TETRAPHOSPHATE AND DERIVATIVES THEREOF UNITIKA LTD. (JP) 1991-07-24 EP disclosed
EP-0247819-A2 Process for producing diadenosine tetraphosphate and derivatives thereof UNITIKA LTD. (JP) 1987-12-02 EP disclosed