Baclofen

Baclofen

SCHEMBL4915007

NCC(CC(=O)O)c1ccc(Cl)cc1.[PbH2]

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2

The experimentally established mechanism targets of Baclofen. 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
▸ GABBR2 known ✓ O75899 8/20 0.96
▸ GABBR1 known ✓ Q9UBS5 8/20 0.96
▸ LMNA P02545 3/20 0.96
▸ CYP2C9 P11712 3/20 0.96
▸ CYP1A2 P05177 2/20 0.96
▸ THRB P10828 2/20 0.96
▸ CYP2D6 P10635 2/20 0.96
▸ CYP2C19 P33261 2/20 0.96
▸ MEN1 O00255 2/20 0.96
▸ KMT2A Q03164 2/20 0.96
▸ CYP3A4 P08684 1/20 0.96
▸ ADORA3 P0DMS8 1/20 0.96
▸ NFKB1 P19838 1/20 0.96
▸ DRD3 P35462 1/20 0.96
▸ BLM P54132 1/20 0.96
▸ TSHR P16473 1/20 0.96
▸ MAPT P10636 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56

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
Baclofen SCHEMBL19334 0.98 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP1A2
Baclofen SCHEMBL5556250 0.98 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP1A2
Arbaclofen SCHEMBL351220 0.98 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP1A2
Baclofen SCHEMBL19333 0.98 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP1A2
Arbaclofen SCHEMBL1417519 0.96 GABBR2 (0.96) GABBR2GABBR1LMNACYP2C9CYP1A2
Baclofen SCHEMBL656539 0.96 GABBR2 (0.96) GABBR2GABBR1LMNACYP2C9CYP1A2
Baclofen SCHEMBL20815463 0.95 GABBR2 (0.93) GABBR2GABBR1LMNACYP2C9CYP1A2
Arbaclofen SCHEMBL2996117 0.95 GABBR2 (0.93) GABBR2GABBR1LMNACYP2C9CYP1A2
Baclofen SCHEMBL3004536 0.95 GABBR2 (0.93) GABBR2GABBR1LMNACYP2C9CYP1A2
Baclofen SCHEMBL22352888 0.92 GABBR2 (0.87) GABBR2GABBR1LMNACYP2C9CYP1A2

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-20080182904-A1 Baclofen for Relapse Protection in Addiction AMEISEN OLIVIER 2008-07-31 — — US disclosed
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