SCHEMBL23440052

SCHEMBL23440052

O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.97
▸ TAS1R3 Q7RTX0 1/20 0.87
▸ TAS1R1 Q7RTX1 1/20 0.87
▸ ADORA1 P30542 6/20 0.80
▸ ADORA3 P0DMS8 5/20 0.72
▸ P2RX3 P56373 3/20 0.70
▸ P2RX2 Q9UBL9 3/20 0.70
▸ P2RX4 Q99571 1/20 0.70
▸ ADORA2A P29274 3/20 0.69
▸ ADORA2B P29275 2/20 0.69
▸ TSHR P16473 2/20 0.68
▸ PMP22 Q01453 2/20 0.68
▸ GAA P10253 1/20 0.68
▸ HTT P42858 1/20 0.68
▸ SIGMAR1 Q99720 1/20 0.68
▸ SLC29A1 Q99808 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ TP53 P04637 1/20 0.68

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
SCHEMBL30969940 1.00 GPR17 (0.97) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL30969949 0.93 TAS1R3 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL20282632 0.93 TAS1R3 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL17824354 0.93 TAS1R3 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL20277517 0.93 TAS1R3 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL30969947 0.93 TAS1R3 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL20282633 0.93 TAS1R3 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL30150750 0.89 ADORA1 (1.00) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL22866623 0.88 TAS1R3 (0.84) GPR17TAS1R3TAS1R1ADORA1ADORA3
SCHEMBL22172737 0.88 GPR17 (0.78) GPR17TAS1R3TAS1R1ADORA1ADORA3

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-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 — — EP disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 — — EP disclosed
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