SCHEMBL6514478

SCHEMBL6514478

CC(CCO)(CCCN(CCCC(C)(CCO)c1ccccc1)C(N)=S)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
BCL2 P10415 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
OPRM1 P35372 3/20 0.32
DRD3 P35462 3/20 0.32
CYP2D6 P10635 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL6515224 0.96 SIGMAR1 (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6508451 0.94 LMNA (0.38) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6512880 0.90 LMNA (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL6509543 0.81 CYP2C19 (0.39) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL344966 0.78 CYP2C19 (0.54) LMNACYP2C19HIF1AMAPTSMN1; SMN2
SCHEMBL6389142 0.74 LMNA (0.43) LMNACYP2C19HIF1AMAPTSMN1; SMN2
SCHEMBL6511452 0.73
SCHEMBL6395592 0.72 KDM1A (0.44) LMNACYP2C19HIF1AMAPTSMN1; SMN2
SCHEMBL6345647 0.72 CYP2C19 (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL14462729 0.72 RIPK1 (0.43) 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