SCHEMBL6527894

SCHEMBL6527894

CC(CCCN(CCCC(C)(c1ccccc1)c1nnn[nH]1)C(N)=S)(c1ccccc1)c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL6531439 0.81
SCHEMBL6394927 0.78 POLB (0.38) LMNA
SCHEMBL6703543 0.73
SCHEMBL6515202 0.72 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6508507 0.72 LMNA (0.32) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6512880 0.71 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6508451 0.70 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6514478 0.70 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL8987735 0.68 ESR1 (0.41)
SCHEMBL9872415 0.67 KCNN4 (0.35)

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