SCHEMBL8971027

SCHEMBL8971027

COc1cc(COc2cc(N)c(Cl)cc2CC(=O)CCCN2CCC(NS(C)(=O)=O)CC2)cc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR4 Q13639 12/20 0.46

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
Hydrochloric Acid SCHEMBL8971600 0.89 MEN1 (0.62) MEN1ALDH1A1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8970720 0.88 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL8971586 0.88 MEN1 (0.52) MEN1ALDH1A1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8971024 0.88 MEN1 (0.69) MEN1ALDH1A1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8972032 0.87 MEN1 (0.51) MEN1ALDH1A1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8971810 0.86 MEN1 (0.51) MEN1ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL8971616 0.86 HTR4 (0.54) MEN1ALDH1A1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8972065 0.86 MEN1 (0.50) MEN1ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL8971037 0.85 HTR4 (0.56) MEN1ALDH1A1TP53CYP3A4CYP2D6
SCHEMBL8971888 0.85 HTR4 (0.56) MEN1ALDH1A1TP53CYP3A4CYP2D6

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-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed