SCHEMBL9815657

SCHEMBL9815657

O=C(NCc1ccc(OCCN2CCCC2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
CHRM3 P20309 2/20 0.58
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 5/20 0.54
KDM1A O60341 1/20 0.53
HDAC1 Q13547 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
MMP13 P45452 1/20 0.53
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL5864316 0.82 PSMB1 (0.59) KDM1AHDAC1
Hydrochloric Acid SCHEMBL5863873 0.81 PSMB1 (0.57) KDM1AHDAC1
SCHEMBL9815591 0.80 DRD3 (0.67) HRH3ALDH1A1SMN1; SMN2LMNADRD2
SCHEMBL1042327 0.79 RAB9A (0.78) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7139253 0.78 PSMB1 (0.68) HRH3KCNH2
SCHEMBL108263 0.77 ALDH1A1 (0.92) ALDH1A1NPC1MEN1KMT2ATP53
SCHEMBL6694228 0.76 PSMB1 (0.52) KDM1AHDAC1
SCHEMBL14430687 0.76 SMN1; SMN2 (0.88) HRH3CHRM3ALDH1A1NPC1RAB9A
SCHEMBL5863974 0.76 KDR (0.59)
SCHEMBL9415440 0.75 ESR1 (0.62) HRH3ALDH1A1HPGDDRD2DRD3

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