SCHEMBL30239020

SCHEMBL30239020

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.44
▸ PI4KA P42356 1/20 0.43
▸ PI4K2B Q8TCG2 1/20 0.43
▸ PI4K2A Q9BTU6 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ P2RX1 P51575 2/20 0.40
▸ P2RX3 P56373 2/20 0.40
▸ P2RX4 Q99571 2/20 0.40
▸ AMD1 P17707 3/20 0.39
▸ DOT1L Q8TEK3 1/20 0.37

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
SCHEMBL30238896 0.94 DOT1L (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30238891 0.89 DOT1L (0.47) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL26611817 0.82 RXFP1 (0.58) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30238879 0.82 RXFP1 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30239294 0.81 RXFP1 (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31533319 0.81 RXFP1 (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30239003 0.81 RXFP1 (0.43) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31001597 0.81 P2RX3 (0.51) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30239717 0.80 DOT1L (0.50) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL31001613 0.77 P2RX3 (0.48) RXFP1PI4KAPI4K2BPI4K2API4KB

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-4374157-A2 FRET-BASED ASSAYS The General Hospital Corporation (US) 2024-05-29 — — EP disclosed
WO-2023004438-A2 FRET-BASED ASSAYS THE GENERAL HOSPITAL CORPORATION (US) 2023-01-26 — — WO disclosed
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