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Sugi Predict / Compounds / SCHEMBL9707551

SCHEMBL9707551

SCHEMBL9707551

CCCn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc(C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 15/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ ADORA1 P30542 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43

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
SCHEMBL9708336 1.00 ADORA3 (0.46) ADORA3ADORA2BADORA1ADORA2AAGTR1
SCHEMBL9707525 0.95 ADORA2B (0.46) ADORA3ADORA2BADORA1ADORA2A
SCHEMBL9707701 0.94 ADORA1 (0.44) ADORA3ADORA2BADORA1ADORA2AAGTR1
SCHEMBL9708614 0.92 POLB (0.46) ADORA3ADORA2B
SCHEMBL9708836 0.92 HPGD (0.47) AGTR1AGTR2
SCHEMBL9707691 0.91 ADORA3 (0.42) ADORA3ADORA2BADORA1ADORA2AAGTR1
SCHEMBL9708013 0.91 ADORA3 (0.44) ADORA3ADORA2BADORA1ADORA2AAGTR1
SCHEMBL9707867 0.91 ADORA3 (0.44) ADORA3ADORA2BADORA1ADORA2AAGTR1
SCHEMBL9708204 0.91 ADORA3 (0.45) ADORA3ADORA2BADORA1ADORA2AAGTR1
SCHEMBL9708068 0.91 ADORA3 (0.45) ADORA3ADORA2BADORA1ADORA2AAGTR1

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