SCHEMBL9709657

SCHEMBL9709657

CCOC(=O)c1ccc2nc(CC)cc(NCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.49
AGTR2 P50052 15/20 0.49

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
SCHEMBL9709698 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9709660 0.83 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9709886 0.83 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9709809 0.82 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9709589 0.81 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9709757 0.79 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9709790 0.78 AGTR1 (0.47) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9496821 0.77 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9494340 0.76 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL7438654 0.76 CCNA2 (0.47) 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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed