SCHEMBL6509705

SCHEMBL6509705

CC(CCCN(CCCC(C)(c1ccccc1)C1COC1=O)C(N)=S)(c1ccccc1)C1COC1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6511005 0.89 LMNA (0.31) LMNA
SCHEMBL6515537 0.82 LMNA (0.31) LMNA
SCHEMBL6510631 0.81 LMNA (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6389189 0.79 POLB (0.37) LMNAMAPTKMT2A
SCHEMBL6508420 0.78 LMNA (0.31) LMNA
SCHEMBL12092710 0.76 ACACB (0.36) LMNACHRM2CHRM1MAPTKMT2A
SCHEMBL6512880 0.70 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL19682117 0.70 ACACB (0.31)
SCHEMBL6514478 0.69 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6508451 0.69 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068420-A1 UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO claimed
WO-2005068420-A1 UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed