SCHEMBL8971037

SCHEMBL8971037

COc1cc(COc2cc(N)c(Cl)cc2CC(=O)CCCN2CCCCC2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.56
CYP3A4 P08684 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 2/20 0.49
KMT2A Q03164 2/20 0.49
HTR3A P46098 1/20 0.49
TP53 P04637 1/20 0.48
CYP2C19 P33261 1/20 0.48
GLA P06280 1/20 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
SCHEMBL8971888 1.00 HTR4 (0.56) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL8971616 0.99 HTR4 (0.54) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8971588 0.91 HTR4 (0.54) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL8971950 0.90 MEN1 (0.46) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL8971586 0.90 MEN1 (0.52) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8972032 0.90 MEN1 (0.51) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8971810 0.89 MEN1 (0.51) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8971911 0.88 HTR4 (0.52) HTR4CYP3A4MEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8972065 0.88 MEN1 (0.50) HTR4CYP3A4MEN1ALDH1A1CYP2D6
SCHEMBL8971437 0.88 HTR4 (0.56) HTR4CYP3A4MEN1ALDH1A1CYP2D6

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