SCHEMBL31001597

SCHEMBL31001597

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NP(=O)(OCCCCCCN)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.51
▸ P2RX1 P51575 4/20 0.51
▸ P2RX4 Q99571 4/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ P2RX2 Q9UBL9 2/20 0.41
▸ AMD1 P17707 2/20 0.40
▸ P2RY12 Q9H244 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DNPH1 O43598 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ TRPM2 O94759 1/20 0.38
▸ LDHA P00338 1/20 0.38

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
SCHEMBL31001613 0.93 P2RX3 (0.48) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31001514 0.84 P2RX3 (0.54) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31001622 0.82 P2RX3 (0.52) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL26611817 0.82 RXFP1 (0.58) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31001503 0.82 DOT1L (0.49) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31001604 0.81 P2RX3 (0.51) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL30239020 0.81 RXFP1 (0.44) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL30238879 0.81 RXFP1 (0.51) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31001554 0.81 P2RX3 (0.51) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL31001618 0.80 P2RX3 (0.50) P2RX3P2RX1P2RX4RXFP1PI4KA

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-2024177959-A1 SMALL MOLECULE TRACER LIGANDS FOR AMINOACYL-TRNA SYNTHETASE ASSAYS THE GENERAL HOSPITAL CORPORATION (US) 2024-08-29 — — WO disclosed
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