SCHEMBL9366551

SCHEMBL9366551

CCCc1cc(C(=O)OCC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.42
AGTR2 P50052 4/20 0.42

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
SCHEMBL9367028 0.95 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9366856 0.94 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL650245 0.89 PPARG (0.44) AGTR1
SCHEMBL9372132 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9366742 0.86 PPARG (0.41) AGTR1AGTR2
SCHEMBL9367831 0.85 PPARG (0.40) AGTR1AGTR2
SCHEMBL9366568 0.84 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9366847 0.83 MAPT (0.47) AGTR1AGTR2
SCHEMBL9366224 0.83 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9370771 0.83 AGTR1 (0.41) 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-0411507-B1 Pyrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-26 EP disclosed
US-5183899-A Cardiovascular disorders, hypotensive disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-02 US disclosed
EP-0411507-A1 Pyrazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-02-06 EP disclosed