SCHEMBL7350532

SCHEMBL7350532

COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(NS(C)(=O)=O)CC2)cc(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
ALDH1A1 P00352 3/20 0.70
CYP2D6 P10635 3/20 0.70
KMT2A Q03164 3/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C19 P33261 2/20 0.70
TP53 P04637 1/20 0.70
HTR4 Q13639 9/20 0.54
CYP2C9 P11712 2/20 0.53
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50

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 SCHEMBL7358013 0.99 MEN1 (0.69) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL7351279 0.89 MEN1 (0.77) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL7355765 0.89 MEN1 (0.63) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7351853 0.89 MEN1 (0.76) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL8601681 0.89 HTR4 (0.69) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7356753 0.88 MEN1 (0.62) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL7354214 0.88 MEN1 (0.85) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL7350296 0.88 MEN1 (0.65) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
SCHEMBL7351626 0.88 MEN1 (0.65) MEN1ALDH1A1CYP2D6KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7357856 0.88 HTR4 (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed