SCHEMBL9668587

SCHEMBL9668587

CCCCc1nc2ncnc(OC)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.64
AGTR1 P30556 4/20 0.64

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
SCHEMBL9669030 0.92 AGTR1 (0.54) AGTR2AGTR1
SCHEMBL9668590 0.88 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL9668940 0.86 AGTR1 (0.62) AGTR2AGTR1
SCHEMBL9667297 0.86 PPARG (0.52)
SCHEMBL9667353 0.86 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL9873003 0.84 AGTR2 (0.65) AGTR2AGTR1
SCHEMBL9669069 0.83 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL7849966 0.83 AGTR1 (0.70) AGTR2AGTR1
SCHEMBL9704076 0.82 AGTR1 (0.67) AGTR2AGTR1
SCHEMBL9872123 0.82 AGTR2 (0.61) 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