SCHEMBL8344710

SCHEMBL8344710

[CH2]C(N)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.56
SLC47A1 Q96FL8 2/20 0.56
MAPT P10636 1/20 0.54
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
LMNA P02545 2/20 0.41
SLC22A1 O15245 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
STAT6 P42226 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL23111396 0.79 SLC22A2 (0.50) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL1200520 0.77 SLC22A2 (0.62) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL2982 0.72 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL40513 0.72 SLC22A2 (0.56) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL15532385 0.72 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL27514830 0.72 SLC22A2 (0.44) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL2981 0.72 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL20409367 0.72 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL821156 0.72 SLC22A2 (0.50) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL4366035 0.70 MAPT (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B

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
US-5880154-A MALEIC ANHYDRIDE-DIVINYL ETHER MODIFIED WITH AMINOALKYLENEADMANTANE OR HYDROXYALKYLENEADMATANE DERIVATIVE AND THEN HYDROLYZED; USED AS ANTIVIRAL AGAINST HIV-1 THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-03-09 US disclosed
WO-1995020951-A1 POLYMERIC ADAMANTANE ANALOGUES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1995-08-10 WO disclosed