SCHEMBL7834873

SCHEMBL7834873

CCCCc1cc(Cc2ccc(-c3ccccc3OC(=O)O)cc2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
PDE10A Q9Y233 1/20 0.43
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7834869 0.85 DHODH (0.59) DHODHAGTR1AGTR2
SCHEMBL8501790 0.84 PLA2G2A (0.52) DHODHAGTR1AGTR2
SCHEMBL9119796 0.80 DHODH (0.53) DHODHAGTR1AGTR2KDM4E
SCHEMBL237890 0.79 RARB (0.51) DHODHKDM4E
SCHEMBL7835619 0.76 PDE4A (0.41) DHODHPDE10AAGTR1AGTR2
SCHEMBL235804 0.75 RARB (0.52) KDM4E
SCHEMBL8780501 0.75 MEN1 (0.42) DHODHKDM4E
SCHEMBL8673292 0.75 KDM4E (0.55) DHODHKDM4E
SCHEMBL21065473 0.75 KDM4E (0.51) DHODHKDM4E
SCHEMBL21065457 0.75 KDM4E (0.51) DHODHKDM4E

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-0498723-B1 Nitrogen containing bicycle compounds, method for their preparation, their use as pharmaceutical and compositions containing them AVENTIS PHARMA SA (FR) 2001-09-19 EP claimed