SCHEMBL9539561

SCHEMBL9539561

CCCCc1nc(O)c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(CCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.44
AGTR2 P50052 1/20 0.44

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
SCHEMBL9846055 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9846125 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9846041 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9846014 0.90
SCHEMBL9846027 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9543200 0.90 PDE4A (0.39) AGTR1AGTR2
SCHEMBL9846079 0.86
SCHEMBL9846061 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9725027 0.85 AGTR1 (0.42) AGTR1
SCHEMBL9845997 0.82

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015717-A1 COMPOSITIONS FOR THE TREATMENT OF GLAUCOMA CIBA-GEIGY AG (CH) 1993-08-19 WO claimed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP claimed
WO-1993015717-A1 COMPOSITIONS FOR THE TREATMENT OF GLAUCOMA CIBA-GEIGY AG (CH) 1993-08-19 WO disclosed
WO-1993015717-A1 COMPOSITIONS FOR THE TREATMENT OF GLAUCOMA CIBA-GEIGY AG (CH) 1993-08-19 WO disclosed
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed