SCHEMBL21257359

SCHEMBL21257359

CNc1nc(SC)nc2c1ncn2[C@@H]1C[C@](C)(COP(=O)(O)OP(=O)(O)O)C[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 17/20 0.59
▸ P2RY2 P41231 2/20 0.53
▸ ENPP1 P22413 2/20 0.46
▸ P2RY12 Q9H244 1/20 0.46
▸ P2RX1 P51575 1/20 0.46
▸ P2RX3 P56373 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ P2RY11 Q96G91 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46

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
SCHEMBL19503349 0.93 P2RY1 (0.67) P2RY1
SCHEMBL21257381 0.89 P2RY1 (0.67) P2RY1P2RY2
SCHEMBL21257342 0.88 P2RY1 (0.69) P2RY1P2RY2ENPP1P2RY12P2RX1
SCHEMBL19807533 0.87 P2RY1 (0.58) P2RY1P2RY2ENPP1P2RY12P2RX1
SCHEMBL19503346 0.84 P2RY1 (0.56) P2RY1P2RY2ENPP1P2RY12P2RX1
SCHEMBL19503345 0.83 P2RY1 (0.57) P2RY1P2RY2ENPP1P2RY12P2RX1
SCHEMBL19807534 0.82 P2RY1 (0.79) P2RY1P2RY2P2RY11
SCHEMBL21257364 0.80 P2RY1 (0.66) P2RY1
SCHEMBL19464930 0.79 P2RY1 (0.68) P2RY1P2RY2ENPP1P2RY12P2RX1
SCHEMBL21257385 0.79 P2RY1 (0.64) P2RY1P2RY2ENPP1P2RY12P2RX1

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-2019157317-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-08-15 — — WO disclosed
Send feedback