SCHEMBL5268052

SCHEMBL5268052

CS[C@@]1(n2cnc3c(N)ncnc32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.59
P2RX3 P56373 5/20 0.59
P2RX4 Q99571 4/20 0.59
P2RX2 Q9UBL9 2/20 0.59
P2RY1 P47900 7/20 0.56
P2RY2 P41231 2/20 0.56
SRC P12931 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RNASEL Q05823 1/20 0.55
MACROD2 A1Z1Q3 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
MACROD1 Q9BQ69 1/20 0.53
TRPM2 O94759 1/20 0.53
ENPP1 P22413 1/20 0.51
P2RY6 Q15077 1/20 0.51
P2RY11 Q96G91 1/20 0.51
ENTPD1 P49961 1/20 0.51

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
SCHEMBL8438672 0.88 P2RX1 (0.63) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30570921 0.88 P2RX1 (0.63) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL11031781 0.87 P2RX1 (0.62) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30777206 0.86 P2RX1 (0.61) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL28390621 0.86 P2RX1 (0.61) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30697341 0.86 P2RX1 (0.61) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL1085901 0.86 P2RX1 (0.59) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL28561820 0.86 P2RX1 (0.60) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30275537 0.86 P2RX1 (0.60) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL8441720 0.85 P2RX1 (0.58) P2RX1P2RX3P2RX4P2RX2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624753-A4 PURINERGIC MODULATION OF SMELL UNIV UTAH RES FOUND (US) 2007-11-07 EP disclosed
EP-1624753-A2 PURINERGIC MODULATION OF SMELL The University of Utah Research Foundation (US) 2006-02-15 EP disclosed
WO-2004047749-A2 PURINERGIC MODULATION OF SMELL UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-06-10 WO disclosed