SCHEMBL8982547

SCHEMBL8982547

CCCCn1c(=O)c2c(nc(C(=O)NC)n2OC2O[C@H](CO)[C@@H](O)[C@H]2O)n(CCCC)c1=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.43
▸ TYMP P19971 1/20 0.35

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
SCHEMBL7744408 0.76 ADORA3 (0.48) ADORA3
SCHEMBL7744402 0.76 ADORA3 (0.48) ADORA3
SCHEMBL7744308 0.76 ADORA3 (0.48) ADORA3
SCHEMBL7738386 0.73 PDE4A (0.46) ADORA3
SCHEMBL7738383 0.73 PDE4A (0.46) ADORA3
SCHEMBL7744288 0.72 PDE4A (0.45) ADORA3
SCHEMBL7744291 0.72 PDE4A (0.45) ADORA3
SCHEMBL7738412 0.69 PDE4A (0.48) —
SCHEMBL7738416 0.69 PDE4A (0.48) —
SCHEMBL7744314 0.69 PDE4A (0.48) —

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
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 — — EP disclosed
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