SCHEMBL9669767

SCHEMBL9669767

CCCc1nc2c(OC)ncnc2n1Cc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 5/20 0.53
▸ AGTR2 P50052 5/20 0.53
▸ PPARG P37231 1/20 0.50

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
SCHEMBL9667639 0.85 PPARG (0.52) AGTR1AGTR2PPARG
SCHEMBL9668613 0.81 TLR7 (0.52) AGTR1AGTR2
SCHEMBL9668940 0.80 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9669710 0.80 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9667353 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9668943 0.79 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9667282 0.77 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9667292 0.75 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL10443392 0.74 PPARG (0.72) AGTR1AGTR2PPARG
SCHEMBL9667346 0.73 AGTR2 (0.51) 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
EP-0467207-A2 Purinderivate F. HOFFMANN-LA ROCHE AG (CH) 1992-01-22 — — EP disclosed
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