SCHEMBL5497112

SCHEMBL5497112

O=C(O)CC(CC1CC1)C[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.34
ENPEP Q07075 2/20 0.34
CPA1 P15085 5/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5492736 0.78 CYP2D6 (0.35) LMNAKMT2A
SCHEMBL22205063 0.74 CPA1 (0.52) ANPEPENPEPCPA1LMNA
SCHEMBL14535008 0.73 CTSK (0.35)
SCHEMBL5492741 0.73 CACNA2D1 (0.48) ANPEPENPEPLMNA
SCHEMBL1410324 0.70 CPA1 (0.56) CPA1MEN1LMNABLMHBB
SCHEMBL1410060 0.70 CPA1 (0.56) CPA1MEN1LMNABLMHBB
SCHEMBL1117046 0.70 CPA1 (0.56) CPA1MEN1LMNABLMHBB
SCHEMBL4342579 0.70 CPA1 (0.39) CPA1MEN1LMNABLMHBB
Potassium Ion SCHEMBL1410071 0.69 CPA1 (0.55) CPA1MEN1LMNABLMHBB
SCHEMBL1410050 0.69 CPA1 (0.55) CPA1MEN1LMNABLMHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937032-B1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2007-05-09 EP disclosed
US-6153650-A TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, NEUROPATHOLOGICAL DISORDERS, INFLAMMATION, AND GASTROINTESTINAL DAMAGE. WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
EP-0937032-A1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 1999-08-25 EP disclosed
WO-1998017627-A1 SUBSTITUTED GAMMA AMINOBUTYRIC ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-04-30 WO disclosed