SCHEMBL9705017

SCHEMBL9705017

CCCCc1nc2cc(N3CCCN(C(=O)N(C)C)C3=O)c(C)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
AGTR2 P50052 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
SCHEMBL9705973 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9705809 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9703974 0.87 KDM4E (0.46) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL9705913 0.86 KDM4E (0.41) AGTR1AGTR2
SCHEMBL9704627 0.85 PPARG (0.43)
SCHEMBL9703953 0.83 AGTR2 (0.49) AGTR1AGTR2
SCHEMBL9704895 0.83 KDM4E (0.59) AGTR1AGTR2
SCHEMBL9704685 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9704777 0.82 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9705244 0.82 AGTR1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed