SCHEMBL12009913

SCHEMBL12009913

CCNC(=O)[C@@H](O[C@H](C)n1cnc2c(N)nc(CC3CCN(C(=O)OC4CCC4)CC3)nc21)C(C)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 11/20 0.36
▸ TPSD1 Q9BZJ3 11/20 0.36
▸ TPSG1 Q9NRR2 11/20 0.36
▸ F2 P00734 4/20 0.36
▸ PRSS1 P07477 4/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ PLG P00747 2/20 0.36
▸ SMYD2 Q9NRG4 1/20 0.31
▸ ADORA2A P29274 1/20 0.31

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
SCHEMBL12009914 0.90 ADORA2A (0.36) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL12009912 0.89 TPSAB1 (0.33) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL12009925 0.85 ADORA2A (0.35) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL12009917 0.85 TPSAB1 (0.35) TPSAB1TPSD1TPSG1F2PRSS1
SCHEMBL12009920 0.82 ADORA2A (0.35) ADORA2A
SCHEMBL3478727 0.79 ADORA2A (0.52) ADORA2A
SCHEMBL3478693 0.78 ADORA2A (0.46) ADORA2A
SCHEMBL10146715 0.78 ADORA2A (0.46) ADORA2A
SCHEMBL10146195 0.77 ADORA2A (0.45) ADORA2A
SCHEMBL12952381 0.74 ADORA2A (0.61) ADORA2A

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
US-8252767-B2 Substituted 4-{3-[6-amino-9-(3, 4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-piperidine-1-carboxylic acid esters as A2AR agonists DOGWOOD PHARMACEUTICALS, INC. (US) 2012-08-28 — — US disclosed
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