SCHEMBL8601681

SCHEMBL8601681

COc1cc(N)c(Cl)cc1C(=O)CCCCN1CCC(NS(C)(=O)=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.69
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
TSHR P16473 1/20 0.62
ACHE P22303 1/20 0.62

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 SCHEMBL7357856 0.99 HTR4 (0.68) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7350532 0.89 MEN1 (0.70) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7358013 0.88 MEN1 (0.69) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7359650 0.86 HTR4 (0.72) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7350061 0.85 HTR4 (0.78) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7349823 0.84 HTR4 (0.77) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7353346 0.84 HTR4 (0.77) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7357428 0.84 HTR4 (0.76) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7352229 0.84 HTR4 (0.76) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7357145 0.83 HTR4 (0.76) HTR4MEN1ALDH1A1CYP2D6CYP2C9

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
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