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Sugi Predict / Compounds / SCHEMBL9707701

SCHEMBL9707701

SCHEMBL9707701

CCn1c(=O)c2c(nc(C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CCc2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.44
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA2A P29274 3/20 0.42
▸ AGTR1 P30556 3/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ ADORA2B P29275 2/20 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
SCHEMBL9708336 0.94 ADORA3 (0.46) ADORA1ADORA3ADORA2AAGTR1AGTR2
SCHEMBL9707551 0.94 ADORA3 (0.46) ADORA1ADORA3ADORA2AAGTR1AGTR2
SCHEMBL9709012 0.93 PDE5A (0.42) ADORA1ADORA3ADORA2AAGTR1AGTR2
SCHEMBL9708836 0.92 HPGD (0.47) AGTR1AGTR2
SCHEMBL9708823 0.91 ADORA3 (0.45) ADORA1ADORA3ADORA2AAGTR1AGTR2
SCHEMBL9707629 0.91 ADORA1 (0.48) ADORA1ADORA3ADORA2AAGTR1AGTR2
SCHEMBL9708614 0.91 POLB (0.46) ADORA3ADORA2B
SCHEMBL9707691 0.90 ADORA3 (0.42) ADORA1ADORA3ADORA2AAGTR1AGTR2
SCHEMBL9708369 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9708134 0.90 ADORA1 (0.49) ADORA1ADORA2AAGTR1AGTR2ADORA2B

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