SCHEMBL6090615

SCHEMBL6090615

CC(C)n1c(C=O)c(-c2ccc(F)cc2)c(-c2ccccc2Br)c1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 18/20 0.49
CYP2C9 P11712 2/20 0.37
ABCC3 O15438 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
RXRA P19793 1/20 0.37
TBXA2R P21731 1/20 0.37
CCKAR P32238 1/20 0.37
ADRA1A P35348 1/20 0.37
PTGS2 P35354 1/20 0.37
NR4A2 P43354 1/20 0.37
PDE4D Q08499 1/20 0.37
SLC10A1 Q14973 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL5732152 0.90 HMGCR (0.56) HMGCRABCB11
SCHEMBL6091284 0.89 HMGCR (0.50) HMGCR
SCHEMBL6090595 0.88 HMGCR (0.43) HMGCRCYP2C9ABCC3ABCB11PGR
SCHEMBL5732374 0.82 HMGCR (0.53) HMGCR
SCHEMBL6092472 0.81 KDM4E (0.43) HMGCRCYP2C9ABCC3ABCB11PGR
SCHEMBL5731420 0.78 HMGCR (0.45) HMGCRCYP2C9ABCC3ABCB11PGR
SCHEMBL6091718 0.77 HMGCR (0.41) HMGCRCYP2C9ABCC3ABCB11PGR
SCHEMBL5731592 0.76 HMGCR (0.43) HMGCRCYP2C9ABCC3ABCB11PGR
SCHEMBL5731225 0.76 HMGCR (0.56) HMGCR
SCHEMBL5731467 0.76 HMGCR (0.52) HMGCRCYP2C9ABCC3ABCB11PGR

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
WO-2006059210-A2 FUSED BICYCLIC PYRROLS AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2006-06-08 WO disclosed