SCHEMBL9667355

SCHEMBL9667355

CCCCc1nc2nc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 15/20 0.54
AGTR1 P30556 14/20 0.54

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
SCHEMBL9667727 0.86 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL8088116 0.85 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL9851484 0.82 AGTR1 (0.56) AGTR2AGTR1
SCHEMBL9844120 0.82 PDE4A (0.65) AGTR2AGTR1
SCHEMBL9708101 0.82 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL9669069 0.82 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL9853663 0.81 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL8081267 0.81 AGTR1 (0.71) AGTR2AGTR1
SCHEMBL9853659 0.81 AGTR1 (0.51) AGTR2AGTR1
SCHEMBL9708426 0.81 MEN1 (0.53) AGTR2AGTR1

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
EP-0467207-A2 Purinderivate F. HOFFMANN-LA ROCHE AG (CH) 1992-01-22 EP claimed
EP-0467207-A2 Purinderivate F. HOFFMANN-LA ROCHE AG (CH) 1992-01-22 EP disclosed