SCHEMBL9801386

SCHEMBL9801386

CC(O)CN1CCN(CCCN)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A3 Q01959 3/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
ALOX15 P16050 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.39
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL1070962 0.88 ALOX15 (0.56) SLC6A3DRD2DRD4DRD3ALOX15
SCHEMBL9801128 0.86 SMN1; SMN2 (0.47) KEAP1SMN1; SMN2ALOX15SIGMAR1CYP2D6
Methane SCHEMBL28950927 0.86 ALOX15 (0.54) SLC6A3DRD2DRD4DRD3ALOX15
Charcoal, Activated SCHEMBL29651832 0.86 ALOX15 (0.54) SLC6A3DRD2DRD4DRD3ALOX15
SCHEMBL7512944 0.83 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2ALOX15SIGMAR1CYP2D6
SCHEMBL9801269 0.82 KEAP1 (0.47) KEAP1SMN1; SMN2ALOX15SIGMAR1CYP2D6
SCHEMBL9800977 0.82 LMNA (0.44) SMN1; SMN2SLC6A3DRD2DRD4DRD3
SCHEMBL17493164 0.82 MEN1 (0.46) SMN1; SMN2SLC6A3DRD2DRD4DRD3
SCHEMBL13833151 0.80 DRD2 (0.47) SLC6A3DRD2DRD4DRD3
SCHEMBL636364 0.80 DRD2 (0.47) SLC6A3DRD2DRD4DRD3

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
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed