SCHEMBL9056223

SCHEMBL9056223

CCCCN1NC(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)=C(C(=O)OC)C1C

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.43

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
SCHEMBL9055362 0.95 AGTR1 (0.40) AGTR1
SCHEMBL9039137 0.92 AGTR1 (0.44) AGTR1
SCHEMBL9038894 0.89 AGTR1 (0.36) AGTR1
SCHEMBL9039196 0.89 AGTR1 (0.37) AGTR1
SCHEMBL9041916 0.88 AGTR1 (0.37) AGTR1
SCHEMBL9042789 0.87 AGTR1 (0.40) AGTR1
SCHEMBL9041466 0.87 AGTR1 (0.43) AGTR1
SCHEMBL9043078 0.87 AGTR1 (0.47) AGTR1
SCHEMBL9042896 0.86 AGTR1 (0.43) AGTR1
SCHEMBL9057090 0.84 AGTR1 (0.41) AGTR1

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-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed