SCHEMBL8971469

SCHEMBL8971469

COc1cc(N)c(Cl)cc1CCCC1CCN(CCNS(C)(=O)=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
ALDH1A1 P00352 3/20 0.69
CYP2D6 P10635 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2C9 P11712 2/20 0.69
HTR4 Q13639 2/20 0.69
TP53 P04637 1/20 0.57
HTR6 P50406 5/20 0.54
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL8970725 0.85 HTR4 (0.54) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL8970664 0.83 HTR4 (0.67) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6244982 0.83 HTR4 (0.66) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL548884 0.81 HTR4 (1.00) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
Hydrochloric Acid SCHEMBL1078401 0.81 HTR4 (0.98) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
Hydrochloric Acid SCHEMBL678966 0.80 HTR4 (0.96) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL7358666 0.78 HTR4 (0.90) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL8973949 0.78 ABCB1 (0.57) MEN1ALDH1A1CYP2D6KMT2ACYP2C9
Hydrochloric Acid SCHEMBL7362378 0.78 HTR4 (0.88) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL17709633 0.74 MEN1 (0.72) MEN1ALDH1A1CYP2D6KMT2ACYP3A4

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