SCHEMBL7357428

SCHEMBL7357428

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

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.76
ACHE P22303 5/20 0.68
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
KMT2A Q03164 2/20 0.68
TSHR P16473 1/20 0.68
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58

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 SCHEMBL7351162 0.99 HTR4 (0.74) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7350061 0.90 HTR4 (0.78) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7349823 0.89 HTR4 (0.77) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7353346 0.89 HTR4 (0.77) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7352229 0.88 HTR4 (0.76) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7354533 0.87 MEN1 (0.63) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7357145 0.87 HTR4 (0.76) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7361237 0.87 MEN1 (0.62) HTR4ACHEMEN1ALDH1A1CYP2D6
SCHEMBL7351188 0.86 HTR4 (1.00) HTR4ACHEMEN1ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL7355174 0.86 HTR4 (0.96) HTR4ACHEMEN1ALDH1A1CYP2D6

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 4 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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed