SCHEMBL9044903

SCHEMBL9044903

CCCCN1CC(C(=O)OCC)=C(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)N1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 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
SCHEMBL9058886 0.85 AGTR1 (0.43) AGTR1
SCHEMBL9057090 0.82 AGTR1 (0.41) AGTR1
SCHEMBL9043115 0.82 AGTR1 (0.41) AGTR1
SCHEMBL9041709 0.82 AGTR1 (0.41) AGTR1
SCHEMBL9055422 0.79 AGTR1 (0.39) AGTR1
SCHEMBL9041118 0.79 AGTR1 (0.39) AGTR1
SCHEMBL9039995 0.79 AGTR1 (0.39) AGTR1
SCHEMBL9056133 0.79 AGTR1 (0.43) AGTR1
SCHEMBL9056223 0.78 AGTR1 (0.43) AGTR1
SCHEMBL8696989 0.78 AGTR1 (0.44) 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 2 patents. 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
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed