SCHEMBL9815591

SCHEMBL9815591

COc1ccc(C(=O)NCc2ccc(OCCN3CCCC3)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.67
DRD2 P14416 2/20 0.67
HRH3 Q9Y5N1 1/20 0.67
NR1H4 Q96RI1 1/20 0.60
SLC5A7 Q9GZV3 1/20 0.58
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.54
MCHR1 Q99705 1/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
ACHE P22303 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL9815637 0.83 LMNA (0.57) ALDH1A1LMNAKDM4E
SCHEMBL5864316 0.82 PSMB1 (0.59) KDM4E
Hydrochloric Acid SCHEMBL5863873 0.81 PSMB1 (0.57) KDM4EPOLB
SCHEMBL28597403 0.81 DRD2 (0.74) DRD3DRD2HRH3NR1H4PDE4A
Itopride SCHEMBL311309 0.81 DRD2 (1.00) DRD3DRD2HRH3NR1H4PDE4A
SCHEMBL9815657 0.80 HRH3 (0.60) DRD3DRD2HRH3ALDH1A1SMN1; SMN2
Itopride SCHEMBL554675 0.80 DRD2 (0.98) DRD3DRD2HRH3NR1H4PDE4A
SCHEMBL5863807 0.80 ESR1 (0.57) DRD3DRD2NR1H4ALDH1A1SMN1; SMN2
SCHEMBL306482 0.80 ROCK2 (0.62) SLC5A7ALDH1A1KCNH2
SCHEMBL308066 0.80 ROCK2 (0.57) SLC5A7SMN1; SMN2MCHR1LMNAKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306827-B1 AMIDE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR ACTIVATING GASTRIC MOTOR FUNCTION CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1991-09-04 EP claimed
US-4983633-A Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-08 US claimed
EP-0306827-A1 Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-03-15 EP claimed
EP-0306827-B1 AMIDE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR ACTIVATING GASTRIC MOTOR FUNCTION CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1991-09-04 EP disclosed
US-4983633-A Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0306827-A1 Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-03-15 EP disclosed