SCHEMBL9704417

SCHEMBL9704417

CCC(=O)Nc1ccc2nc(CC)n(Cc3ccc(-c4ccccc4OC(=O)OC(C)(C)C)cc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL9704005 0.89 AGTR1 (0.40) SMN1; SMN2AGTR1AGTR2LMNA
SCHEMBL9704411 0.88 AGTR1 (0.44) SMN1; SMN2HTTAGTR1AGTR2
SCHEMBL9705279 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704688 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9704771 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9705139 0.83 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9705886 0.83 AGTR1 (0.40) AGTR1AGTR2ALDH1A1
SCHEMBL9704078 0.83 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704334 0.83 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9705934 0.83 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