SCHEMBL9801110

SCHEMBL9801110

CC(O)CN1CCN(CC(C)O)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.40
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
SLC6A3 Q01959 3/20 0.32
DRD4 P21917 2/20 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
SCHEMBL9801147 0.90 KCNJ1 (0.37) KCNJ1DRD2DRD3
SCHEMBL9801481 0.89 KCNJ1 (0.36) KCNJ1DRD2DRD3SLC6A3DRD4
SCHEMBL9801101 0.86 KCNJ1 (0.34) KCNJ1DRD2DRD3SLC6A3DRD4
SCHEMBL9801475 0.86 KCNJ1 (0.34) KCNJ1DRD2DRD3SLC6A3DRD4
SCHEMBL9801557 0.84 KCNJ1 (0.34) KCNJ1DRD2DRD3SLC6A3DRD4
SCHEMBL9801197 0.82 SLC29A1 (0.34) KCNJ1SLC6A3
SCHEMBL9801605 0.81 SLC6A3 (0.35) DRD2DRD3SLC6A3DRD4
SCHEMBL8406323 0.77 KCNJ1 (0.34) KCNJ1
SCHEMBL636364 0.73 DRD2 (0.47) DRD2DRD3SLC6A3DRD4
SCHEMBL13833151 0.73 DRD2 (0.47) DRD2DRD3SLC6A3DRD4

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