SCHEMBL8714043

SCHEMBL8714043

CCCCN1[C@@H]2COC[C@H]1C[C@@H](N)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A4 P31645 1/20 0.35
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MGAM O43451 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL8714046 1.00 SLC6A3 (0.35) SLC6A3SLC6A2CHRM1SLC6A4GNAI3
SCHEMBL8717806 0.95 GNAI3 (0.40) SLC6A3SLC6A2CHRM1SLC6A4GNAI3
SCHEMBL8714817 0.95 GNAI3 (0.40) SLC6A3SLC6A2CHRM1SLC6A4GNAI3
SCHEMBL8719610 0.93 GNAI3 (0.42) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL11242228 0.93 GNAI3 (0.42) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8719615 0.93 GNAI3 (0.42) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8714425 0.90 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL8714421 0.90 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL4851968 0.82 SLC6A3 (0.43) SLC6A3SLC6A2CHRM1SLC6A4GNAI3
SCHEMBL11233388 0.81 GBA1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed