SCHEMBL7011909

SCHEMBL7011909

CCCc1nc2c(C)cnc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
AGTR1 P30556 3/20 0.46
AGTR2 P50052 2/20 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
SCHEMBL7009704 0.99 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL7011920 0.98 PPARG (0.49) PPARGAGTR1AGTR2
SCHEMBL7006585 0.94 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL7010808 0.92 AGTR1 (0.49) PPARGAGTR1AGTR2
SCHEMBL7011915 0.91 AGTR1 (0.45) PPARGAGTR1AGTR2
SCHEMBL7015976 0.88 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8332201 0.82 AGTR1 (0.52) PPARGAGTR1AGTR2
SCHEMBL61 0.82 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9031719 0.82 PPARG (0.48) PPARGAGTR1AGTR2
SCHEMBL7304283 0.81 AGTR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed