Amantadine

Amantadine

SCHEMBL4339906

NC12CC3CC(CC(C3)C1)C2.O=C(O)O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BM

The experimentally established mechanism targets of Amantadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D known ✓ O15399 1/20 0.72
GRIN3B known ✓ O60391 1/20 0.72
GRIN1 known ✓ Q05586 1/20 0.72
GRIN2A known ✓ Q12879 1/20 0.72
GRIN2B known ✓ Q13224 1/20 0.72
GRIN2C known ✓ Q14957 1/20 0.72
GRIN3A known ✓ Q8TCU5 1/20 0.72
THRB P10828 2/20 0.74
CYP2C9 P11712 1/20 0.74
LMNA P02545 2/20 0.72
TSHR P16473 2/20 0.72
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
NFKB1 P19838 1/20 0.72
STAT6 P42226 1/20 0.72
SLC47A1 Q96FL8 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
POLB P06746 2/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68

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
Amantadine SCHEMBL15015750 0.92 THRB (0.71) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL20357994 0.90 THRB (0.68) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL27677379 0.90 THRB (0.68) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL15015696 0.90 LMNA (0.70) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL15016083 0.87 LMNA (0.67) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL20357966 0.87 THRB (0.65) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL3761365 0.85 THRB (1.00) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL31756726 0.85 THRB (1.00) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL29011286 0.85 GRIN1 (0.87) THRBCYP2C9LMNATSHRSLC22A2
Amantadine SCHEMBL15672299 0.85 GRIN1 (1.00) THRBCYP2C9LMNATSHRSLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP claimed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO claimed
CN-119661366-A Preparation method and application of amantadine carbonate 李果 2025-03-21 CN disclosed
CN-101823775-A Method for treating amantadine waste water through crystallization UNIV SHENYANG JIANZHU 2010-09-08 CN disclosed
US-20090246233-A1 Treatment of Gastroparesis and Nonulcer Dyspepsia With GABAB Agonists AGI THERAPEUTICS RESEARCH LTD. 2009-10-01 US disclosed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP disclosed
EP-1675581-A1 TREATMENT OF GASTROPARESIS AND NONULCER DYSPEPSIA WITH GABA-b AGONISTS AGI THERAPEUTICS RESEARCH LIMITED (IE) 2006-07-05 EP disclosed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO disclosed
US-20050090554-A1 Administering baclofen, or a salt thereof, to relieve at least one symptom of gastroparesis other than vomiting AGI THERAPEUTICS LTD. (IE) 2005-04-28 US disclosed
WO-2005025559-A1 TREATMENT OF GASTROPARESIS AND NONULCER DYSPEPSIA WITH GABAB AGONISTS AGI THERAPEUTICS LTD. (US) 2005-03-24 WO disclosed