SCHEMBL9708084

SCHEMBL9708084

CCCc1nc2c(c(=O)n(-c3ccccc3)c(=O)n2C(C)OC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.41
AGTR2 P50052 4/20 0.41

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
SCHEMBL9707512 0.96 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708793 0.95 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9707721 0.95 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9707668 0.93 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9707952 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9708541 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708286 0.91 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9708768 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9708410 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707758 0.90 AGTR1 (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 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