SCHEMBL9707854

SCHEMBL9707854

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.48
AGTR2 P50052 8/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9707363 0.98 AGTR1 (0.46) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708184 0.95 MEN1 (0.47) AGTR1AGTR2MEN1KMT2A
SCHEMBL9707498 0.92 MEN1 (0.46) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708426 0.92 MEN1 (0.53) AGTR1AGTR2MEN1KMT2A
SCHEMBL9707286 0.91 AGTR1 (0.50) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708270 0.90 MEN1 (0.49) AGTR1AGTR2MEN1KMT2A
SCHEMBL9707289 0.90 MEN1 (0.52) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708233 0.89 TPH1 (0.49) AGTR1AGTR2MEN1KMT2A
SCHEMBL9707992 0.89 USP2 (0.51) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708617 0.88 MEN1 (0.42) MEN1KMT2A

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