SCHEMBL9709580

SCHEMBL9709580

Cc1cc(N(Cc2ccc(-c3ccccc3)c(-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)C(=O)OC(C)(C)C)c2ncccc2n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGT P01019 2/20 0.35
AGTR1 P30556 4/20 0.35
AGTR2 P50052 1/20 0.35
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL9709627 0.94 AGTR1 (0.38) AGTAGTR1AGTR2
SCHEMBL9709746 0.87 AGTR1 (0.39) AGTAGTR1AGTR2
SCHEMBL9709767 0.79 AGT (0.39) AGTAGTR1AGTR2
SCHEMBL9709716 0.77 AGT (0.41) AGTAGTR1AGTR2
SCHEMBL9709690 0.76 AGTR1 (0.44) AGTAGTR1AGTR2
SCHEMBL9709709 0.74 AGTR1 (0.38) AGTAGTR1AGTR2
SCHEMBL9709712 0.73 AGT (0.41) AGTAGTR1AGTR2
SCHEMBL9709702 0.72 AGTR1 (0.42) AGTAGTR1AGTR2
SCHEMBL9709871 0.71 AGT (0.45) AGTAGTR1AGTR2
SCHEMBL27360548 0.70 AGTR1 (0.41) AGTAGTR1AGTR2

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-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed