SCHEMBL7362633

SCHEMBL7362633

Cc1ccsc1C(=CCCBr)c1sccc1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 5/20 0.45
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL9524274 0.86 TBXAS1 (0.40) SLC6A1PTGS1PDE4A
SCHEMBL9773503 0.86 TBXAS1 (0.40) SLC6A1PTGS1PDE4A
SCHEMBL9524272 0.86 TBXAS1 (0.40) SLC6A1PTGS1PDE4A
SCHEMBL9773499 0.86 TBXAS1 (0.40) SLC6A1PTGS1PDE4A
SCHEMBL10407492 0.84 SLC6A1 (0.36) SLC6A1PTGS1PDE4A
SCHEMBL10407493 0.84 SLC6A1 (0.36) SLC6A1PTGS1PDE4A
SCHEMBL3276106 0.79 GSK3B (0.47) SLC6A1PTGS1PDE4A
SCHEMBL7768683 0.79 GSK3B (0.47) SLC6A1PTGS1PDE4A
SCHEMBL27950483 0.74 TBXAS1 (0.48) SLC6A1PTGS1PDE4A
SCHEMBL7768658 0.74 SLC6A1 (0.53) SLC6A1PTGS1PDE4A

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-103570703-B The preparation and purification method of Tiagabine Hydrochloride ZHAO XUEQING (CN) 2016-03-23 CN disclosed
US-9290486-B1 Compositions and methods for the treatment of epilepsy CELLIX BIO PRIVATE LIMITED (IN) 2016-03-22 US disclosed
US-9290486-B1 Compositions and methods for the treatment of epilepsy CELLIX BIO PRIVATE LIMITED (IN) 2016-03-22 US disclosed
CN-103570703-A Preparation and purifying method of tiagabine hydrochloride ZHAO XUEQING 2014-02-12 CN disclosed
EP-1109783-A2 GABA UPTAKE INHIBITORS HAVING A PYRROLIDINE STRUCTURE BDD Berolina Drug Development AB (SE) 2001-06-27 EP disclosed
WO-2000014064-A2 GABA UPTAKE INHIBITORS HAVING A PYRROLIDINE STRUCTURE BDD BEROLINA DRUG DEVELOPMENT AB (SE) 2000-03-16 WO disclosed
EP-0236342-B1 AMINO ACID DERIVATIVES NOVO NORDISK A/S (DK) 1991-09-11 EP disclosed
US-5010090-A N-(butenyl substituted) azaheterocyclic carboxylic acids NOVO NORDISK A/S. (DK) 1991-04-23 US disclosed
EP-0236342-A1 AMINO ACID DERIVATIVES. NOVO INDUSTRI AS (DK) 1987-09-16 EP disclosed
WO-1987000171-A1 AMINO ACID DERIVATIVES NOVO INDUSTRI A/S (DK) 1987-01-15 WO disclosed