SCHEMBL9538569

SCHEMBL9538569

CCCCc1ncn(Cc2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL8979930 0.95 AGTR1 (0.51) AGTR1AGTR2ACHE
SCHEMBL9538974 0.95 ACHE (0.49) AGTR1AGTR2ACHE
SCHEMBL8979802 0.92 ACHE (0.48) AGTR1AGTR2ACHE
SCHEMBL8979767 0.91 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL8979751 0.88 ACHE (0.45) AGTR1AGTR2ACHE
SCHEMBL8979836 0.87 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8979811 0.87 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8979861 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8979801 0.80 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8979783 0.79 AGTR1 (0.48) AGTR1AGTR2ACHE

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
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed