Methylpiperazine

Methylpiperazine

SCHEMBL7487241

CN1CCNCC1.O=C(O)C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Methylpiperazine. 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
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHKA P35790 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
PHGDH O43175 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Methylpiperazine SCHEMBL27895941 0.97 CA2 (0.39) CA2CA12CA1CA9CHKA
Methylpiperazine SCHEMBL16669183 0.92 CA2 (0.42) CA2CA12CA1CA9CHKA
Methylpiperazine SCHEMBL1681596 0.90 CYP1A2 (0.44) CA2CA12CA1CA9CHKA
Methylpiperazine SCHEMBL8607131 0.87 CA2 (0.39) CA2CA12CA1CA9CHKA
Methylpiperazine SCHEMBL9400626 0.87 CA2 (0.39) CA2CA12CA1CA9CHKA
Methylpiperazine SCHEMBL28060474 0.87 CYP1A2 (0.42) CA2CA12CA1CA9CHKA
Fumaric Acid SCHEMBL7463657 0.85 TSHR (0.43) CA2CA12CA1CA9CHKA
Maleic Acid SCHEMBL30024098 0.85 TSHR (0.43) CA2CA12CA1CA9CHKA
Maleic Acid SCHEMBL6625236 0.85 TSHR (0.43) CA2CA12CA1CA9CHKA
Fumaric Acid SCHEMBL7463662 0.85 TSHR (0.43) CA2CA12CA1CA9CHKA

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
CN-115243764-B Heterocyclic derivatives as TRMP antagonists 奇华顿股份有限公司 2025-01-03 CN claimed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN claimed
CN-115243764-A Heterocyclic derivatives as TRMP8 antagonists 奇华顿股份有限公司 2022-10-25 CN claimed
CN-115243764-B Heterocyclic derivatives as TRMP antagonists 奇华顿股份有限公司 2025-01-03 CN disclosed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN disclosed
CN-115243764-A Heterocyclic derivatives as TRMP8 antagonists 奇华顿股份有限公司 2022-10-25 CN disclosed
CN-1365359-A Benzofurylpiperazines and benzofurylhomopiperazines: serotonin agonists LILLY CO ELI (US) 2002-08-21 CN disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
EP-0593557-A1 AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. MERCK SHARP & DOHME (GB) 1994-04-27 EP disclosed