SCHEMBL7358666

SCHEMBL7358666

COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCCNS(C)(=O)=O)CC1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.90
MEN1 O00255 3/20 0.90
ALDH1A1 P00352 3/20 0.90
CYP2D6 P10635 3/20 0.90
KMT2A Q03164 3/20 0.90
CYP2C9 P11712 2/20 0.90
CYP3A4 P08684 2/20 0.90
CYP2C19 P33261 2/20 0.90
ACHE P22303 2/20 0.75
TSHR P16473 1/20 0.75
TP53 P04637 1/20 0.72
HTR6 P50406 2/20 0.71

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 SCHEMBL7362378 0.99 HTR4 (0.88) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL548884 0.95 HTR4 (1.00) HTR4MEN1ALDH1A1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL1078401 0.94 HTR4 (0.98) HTR4MEN1ALDH1A1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL678966 0.93 HTR4 (0.96) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL549019 0.86 HTR4 (1.00) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL29604454 0.86 HTR4 (1.00) HTR4MEN1ALDH1A1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL7359650 0.86 HTR4 (0.72) HTR4MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL7351263 0.85 HTR4 (0.98) HTR4MEN1ALDH1A1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL30139046 0.85 HTR4 (0.98) HTR4MEN1ALDH1A1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL7350050 0.85 HTR4 (0.98) HTR4MEN1ALDH1A1CYP2D6KMT2A

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