SCHEMBL9707827

SCHEMBL9707827

COC(C)n1c(=O)n(C(C)c2ccccc2)c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.38
AGTR2 P50052 4/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
PPARG P37231 3/20 0.35

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
SCHEMBL9707734 0.98 AGTR1 (0.37) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708670 0.96 KMT2A (0.40) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708539 0.94 AGTR1 (0.40) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708207 0.92 KMT2A (0.42) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708328 0.91 PDE5A (0.40) AGTR1AGTR2KMT2A
SCHEMBL9707991 0.90 AGTR1 (0.38) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708346 0.90 KMT2A (0.42) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708020 0.90 ADORA3 (0.42) AGTR1AGTR2KMT2A
SCHEMBL9708034 0.90 PDE5A (0.40) AGTR1AGTR2KMT2A
SCHEMBL9708842 0.89 PPARG (0.38) AGTR1AGTR2KMT2APOLBMAPK1

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