SCHEMBL29967398

SCHEMBL29967398

c1ccc(C2(CC3OCCO3)CCCNC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
OPRM1 P35372 10/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
EPHX2 P34913 1/20 0.33
CHRNA7 P36544 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
SCHEMBL28869101 0.79 CXCR3 (0.36) SLC6A2OPRM1DRD2DRD3EPHX2
SCHEMBL29024043 0.75 OPRM1 (0.37) SLC6A2OPRM1DRD2DRD3
SCHEMBL8147978 0.73 SLC6A4 (0.46) SLC6A2SLC6A3SLC6A4ALDH1A1DRD2
SCHEMBL8147976 0.73 SLC6A4 (0.46) SLC6A2SLC6A3SLC6A4ALDH1A1DRD2
SCHEMBL30936177 0.71 ALDH1A1 (0.45) SLC6A2OPRM1ALDH1A1CYP3A4HPGD
SCHEMBL6997616 0.70 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4OPRM1ALDH1A1
SCHEMBL8143503 0.70 SLC6A4 (0.45) SLC6A2SLC6A3SLC6A4
SCHEMBL7135965 0.70 SLC6A4 (0.65) SLC6A2SLC6A3SLC6A4
SCHEMBL7135972 0.70 SLC6A4 (0.65) SLC6A2SLC6A3SLC6A4
SCHEMBL8143495 0.70 SLC6A4 (0.45) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124520-A Opioid receptor agonists and uses thereof 四川海思科制药有限公司 2022-09-30 CN disclosed