SCHEMBL9844155

SCHEMBL9844155

CCCCc1nc(C)c(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.53
PPARG P37231 2/20 0.53
AGTR2 P50052 1/20 0.51

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
SCHEMBL9843837 0.93 AGTR1 (0.59) AGTR1PPARG
SCHEMBL9843911 0.91 AGTR1 (0.58) AGTR1PPARG
SCHEMBL9844027 0.91 AGTR1 (0.58) AGTR1PPARG
SCHEMBL9843685 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9843790 0.89 PPARG (0.56) AGTR1PPARG
SCHEMBL7325814 0.89 AGTR1 (0.52) AGTR1PPARGAGTR2
SCHEMBL9231293 0.89 PPARG (0.63) AGTR1PPARG
SCHEMBL13036727 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7819440 0.87 PPARG (0.61) AGTR1PPARG
SCHEMBL9844327 0.87 PPARG (0.61) AGTR1PPARG

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