SCHEMBL9843702

SCHEMBL9843702

CCCCc1ncc(COC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.48
AGTR2 P50052 2/20 0.48
PPARG P37231 1/20 0.47

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
SCHEMBL9844033 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9844151 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9843791 0.89 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9843777 0.88 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9843949 0.84 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL13474406 0.84 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9402081 0.84 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9401976 0.83 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9845667 0.83 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9402040 0.82 AGTR1 (0.47) AGTR1AGTR2PPARG

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