SCHEMBL7423908

SCHEMBL7423908

CCOC(=O)C(=CCC1CCNCC1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9014642 0.77 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2792512 0.76 GLO1 (0.51) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2792511 0.76 GLO1 (0.51) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL28148058 0.75 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14182272 0.74 MAPT (0.42) NPSR1ALDH1A1ALOX15TSHRMAPT
SCHEMBL14173381 0.74 MAPT (0.42) NPSR1ALDH1A1ALOX15TSHRMAPT
Hydrochloric Acid SCHEMBL27995381 0.73 GNAI3 (0.39) ALOX15MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL4631018 0.70 GABRP (0.43) ALDH1A1CYP2D6SMN1; SMN2TSHRMEN1
SCHEMBL40428 0.70 MGAM (0.41) ALDH1A1ALOX15MAPTSLC6A2SLC6A4
SCHEMBL3417041 0.70 ALOX15 (0.51) ALOX15TSHR

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