SCHEMBL9844285

SCHEMBL9844285

CCCCc1cc(=O)n(Cc2ccc(-c3ccccc3)c(C#N)c2)c(CCCC)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
AGTR2 P50052 3/20 0.46
PPARG P37231 1/20 0.46
CYP19A1 P11511 1/20 0.45
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL9844019 0.88 PPARG (0.43) AGTR1AGTR2PPARGCYP19A1
SCHEMBL9843913 0.86 PPARG (0.60) AGTR1AGTR2PPARG
SCHEMBL9843965 0.85 CYP19A1 (0.46) AGTR1AGTR2PPARGCYP19A1
SCHEMBL9844094 0.85 PPARG (0.41) AGTR1AGTR2PPARGCYP19A1
SCHEMBL1888053 0.84 PPARG (0.57) AGTR1AGTR2PPARG
SCHEMBL9443092 0.82 PPARG (0.68) AGTR1AGTR2PPARG
SCHEMBL9843787 0.82 PDE4A (0.44) AGTR1AGTR2PPARGCYP19A1
SCHEMBL27771395 0.81 AGTR1 (0.61) AGTR1AGTR2PPARGCYP19A1
SCHEMBL9402044 0.81 PPARG (0.54) AGTR1AGTR2PPARG
SCHEMBL27528971 0.80 PPARG (0.55) 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