SCHEMBL19974599

SCHEMBL19974599

CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2cnc3c(OC)nc(Cl)nc32)[C@]2(C)COC(C)(C)O[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.40
ADORA2A P29274 7/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA2B P29275 4/20 0.36
ALOX15 P16050 1/20 0.35
NT5E P21589 3/20 0.34

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
SCHEMBL19974415 0.90 ADORA2A (0.47) ADORA2AADORA3NT5E
SCHEMBL19978907 0.87 ADORA1 (0.38) ADORA1ADORA2AADORA3NT5E
SCHEMBL22683313 0.84 ADORA2A (0.48) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL19975005 0.81 ADORA2A (0.46) ADORA2AADORA3NT5E
SCHEMBL19974575 0.80 ADORA2A (0.43) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL19978965 0.77 NT5E (0.44) ADORA2AADORA3NT5E
SCHEMBL19978906 0.75 ADORA3 (0.42) ADORA1ADORA2AADORA3NT5E
SCHEMBL19974414 0.74 ADORA2A (0.34) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL19974410 0.73 ADORA2A (0.64) ADORA1ADORA2AADORA3ADORA2BALOX15
SCHEMBL22700416 0.71 NT5E (0.45) ADORA1ADORA2AADORA3NT5E

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-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed
EP-3512860-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB Pharma Inc. (CA) 2019-07-24 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO disclosed