SCHEMBL7012808

SCHEMBL7012808

CCCc1nn2ncc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
AGTR1 P30556 2/20 0.45
AGTR2 P50052 1/20 0.45

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
SCHEMBL7013213 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7017466 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9140300 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7008117 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7018346 0.83 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL7009528 0.83 PPARG (0.44) PPARGAGTR1AGTR2
SCHEMBL4250985 0.81 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9140168 0.80 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL855 0.80 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9139419 0.79 AGTR1 (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP claimed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US claimed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP claimed
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
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed