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Sugi Predict / Compounds / SCHEMBL9707535

SCHEMBL9707535

SCHEMBL9707535

CCCn1c(=O)c2c(nc(CC(C)(C)C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CCC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40

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
SCHEMBL9708283 0.98 ADORA3 (0.41) ADORA3ADORA2AADORA1ADORA2BAGTR1
SCHEMBL9708004 0.97 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2BAGTR1
SCHEMBL9707297 0.95 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2BAGTR1
SCHEMBL9707529 0.95 ADORA3 (0.43) ADORA3ADORA2AADORA1ADORA2BAGTR1
SCHEMBL9708878 0.95 ALOX15 (0.41) ADORA3ADORA1AGTR1AGTR2
SCHEMBL9708734 0.95 ALOX15 (0.41) ADORA3AGTR1AGTR2
SCHEMBL9708153 0.95 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9708058 0.95 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9708448 0.95 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2BAGTR1
SCHEMBL9708090 0.94 ADORA3 (0.39) ADORA3ADORA2AADORA1AGTR1AGTR2

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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed