SCHEMBL9707555

SCHEMBL9707555

CCCCc1nc2c(c(=O)n(C)c(=O)n2CC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.48
AGTR2 P50052 10/20 0.48

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
SCHEMBL9707554 0.98 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9708190 0.95 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707711 0.94 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9708707 0.94 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708073 0.93 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9707945 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708568 0.92 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9707540 0.92 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9707778 0.92 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9707553 0.92 PDE1A (0.43) AGTR1AGTR2

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