SCHEMBL9843875

SCHEMBL9843875

CCCCc1nc(CCOC)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
AGTR1 P30556 4/20 0.47
AGTR2 P50052 4/20 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
SCHEMBL9844166 0.93 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9402040 0.92 AGTR1 (0.47) PPARGAGTR1AGTR2
SCHEMBL9843788 0.92 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9843765 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9843895 0.91 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9843653 0.89 AGTR1 (0.46) PPARGAGTR1AGTR2
SCHEMBL9844028 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9402030 0.88 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL9843946 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9843873 0.87 PPARG (0.51) PPARGAGTR1AGTR2

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