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Sugi Predict / Compounds / SCHEMBL7222971

SCHEMBL7222971

SCHEMBL7222971

CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 14/20 1.00
▸ ADORA2A P29274 12/20 0.83
▸ ADORA3 P0DMS8 5/20 0.74
▸ ADORA1 P30542 4/20 0.74

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
SCHEMBL10420656 0.91 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7228029 0.85 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7235224 0.84 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7226513 0.84 ADORA2B (0.79) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7222198 0.82 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL10723862 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
Aminomethylamide SCHEMBL9596537 0.79 ADORA2A (0.89) ADORA2BADORA2AADORA3ADORA1
SCHEMBL7316494 0.79 ADORA2B (0.76) ADORA2BADORA2AADORA3ADORA1
SCHEMBL9164820 0.78 ADORA2B (0.80) ADORA2BADORA2AADORA3ADORA1
Xanthine Amine Congener SCHEMBL1000686 0.78 ADORA2A (1.00) ADORA2BADORA2AADORA3ADORA1

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-6545002-B1 Treating asthma, diarrhea, insulin resistance, diabetes, ischemia/reprefusion injuries, diabetic retinopathy or hyperbaric oxygen-induced retinopathy UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-04-08 — — US disclosed