SCHEMBL9844138

SCHEMBL9844138

CCCCc1nc2cccnc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.56
AGTR2 P50052 4/20 0.56

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
SCHEMBL7622112 0.88 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL29486817 0.88 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL9402071 0.88 PDE4A (0.64)
SCHEMBL9844120 0.87 PDE4A (0.65) AGTR1AGTR2
Hydrochloric Acid SCHEMBL7841670 0.87 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL9312828 0.85 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9845720 0.85 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9260166 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8393351 0.84 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9402056 0.83 AGTR1 (0.49) 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-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed