SCHEMBL8530393

SCHEMBL8530393

CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nn(CCc2ccccc2)c(Br)c1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 19/20 0.44
AGTR2 P50052 19/20 0.44

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
SCHEMBL8532263 0.92 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9038198 0.91 AGTR1 (0.48) AGTR1AGTR2
Potassium Ion SCHEMBL9038202 0.90 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8529152 0.84 AGT (0.42) AGTR1AGTR2
SCHEMBL9295593 0.81 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9296806 0.80 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9296373 0.79 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9590184 0.77 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9590324 0.77 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9295622 0.76 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
US-5840909-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
US-5817828-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; VISION DEFECTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed
US-5721264-A EXHIBIT ANTAGONISTIC EFFECT AGAINST ANGIOTENSIN II; USEFUL FOR PREVENTION AND REMEDY OF HYPERTENSION, CONGESTIVE HEARTFAILURE, CHRONIC RENAL INSUFFICIENCY, ALDOSTERONISM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-24 US disclosed
EP-0693480-A1 PYRAZOLE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 EP disclosed