SCHEMBL22352146

SCHEMBL22352146

COP(=O)(O)OCC1CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.54
▸ P2RY2 P41231 3/20 0.54
▸ P2RX1 P51575 3/20 0.54
▸ P2RX3 P56373 3/20 0.54
▸ SRC P12931 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ P2RX4 Q99571 2/20 0.54
▸ P2RX2 Q9UBL9 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ BCHE P06276 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ TRPM2 O94759 2/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ ADORA1 P30542 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
SCHEMBL20692157 1.00 P2RY1 (0.54) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL21859358 0.95 P2RY1 (0.58) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL26585031 0.90 P2RY1 (0.57) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL4969963 0.90 P2RX3 (0.61) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL31229395 0.90 P2RX3 (0.61) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL23978230 0.90 P2RX3 (0.61) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL19389373 0.90 ENPP1 (0.51) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL21251592 0.90 BCHE (0.53) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL21894145 0.90 BCHE (0.53) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL19636108 0.90 BCHE (0.53) P2RY1P2RY2P2RX1P2RX3SRC

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
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