SCHEMBL23948397

SCHEMBL23948397

CC(N)C1(C)CC2CCC(C2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.50
SLC47A1 Q96FL8 2/20 0.50
MAPT P10636 1/20 0.48
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SLC22A1 O15245 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL19696242 0.91 SLC22A2 (0.46) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL21508113 0.82 SLC22A2 (0.52) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL23911765 0.79 SLC22A2 (0.48) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL19102477 0.69 SLC22A2 (0.33) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL2982 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL29908943 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL2981 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL15532385 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL20409367 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL12937720 0.66 SLC1A2 (0.42) SMN1; SMN2ALDH1A1

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
WO-2021209563-A1 COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY RESPIRATORY SYNDROME-RELATED CORONAVIRUS SOM INNOVATION BIOTECH, S.A. (ES) 2021-10-21 WO disclosed