SCHEMBL9039803

SCHEMBL9039803

CCCCN1NC(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)=C(C(=O)OCC)C1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
AGTR2 P50052 1/20 0.53

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
SCHEMBL9057539 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9043115 0.83 AGTR1 (0.41) AGTR1
SCHEMBL9043395 0.83 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9044030 0.83 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9057468 0.82 AGTR1 (0.61) AGTR1
SCHEMBL9044850 0.82 AGTR1 (0.60) AGTR1
SCHEMBL9041730 0.82 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9057724 0.80 CASP3 (0.44)
SCHEMBL9041731 0.78 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9056566 0.78 AGTR1 (0.53) 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 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