SCHEMBL6389635

SCHEMBL6389635

CC(OC(C)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.59
▸ HINT1 P49773 7/20 0.56
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ PNP P00491 1/20 0.49
▸ NT5E P21589 1/20 0.48
▸ STING1 Q86WV6 2/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL1275031 0.84 HINT1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL29060313 0.81 HINT1 (0.69) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL780400 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL23200376 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL800400 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL23200375 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL23710671 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL23710670 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL800874 0.81 TAAR1 (0.58) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL1527362 0.81 NT5E (0.59) TAAR1HINT1GSK3ARPS6KA3MAPK14

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-1525209-A2 1'-, 2'- AND 3' -MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS Idenix (Cayman) Limited (KY) 2005-04-27 — — EP disclosed
WO-2004003000-A2 1’-, 2'- AND 3'- MODIFIED NUCLEOSIDE DERIVATIVES FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX (CAYMAN) LIMITED (KY) 2004-01-08 — — WO disclosed
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