SCHEMBL5164434

SCHEMBL5164434

O=C(O)C1CCCN(CC/C=C(/c2ccccc2)c2cccs2)C1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 17/20 0.78
ALDH1A1 P00352 2/20 0.78
LMNA P02545 2/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
NFKB1 P19838 1/20 0.78
CYP2C19 P33261 1/20 0.78
HSD17B10 Q99714 1/20 0.78

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
SCHEMBL5164435 1.00 SLC6A1 (0.78) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL10968404 1.00 SLC6A1 (0.78) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7357067 0.94 SLC6A1 (0.69) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9773467 0.93 ALDH1A1 (0.70) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7363843 0.88 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7363842 0.88 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL676997 0.88 SLC6A1 (1.00) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL676998 0.88 SLC6A1 (1.00) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL11290241 0.88 SLC6A1 (0.59) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL11290239 0.88 SLC6A1 (0.59) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1331933-B1 TIAGABINE FOR THE TREATMENT OF DIABETIC NEUROPATHY ABBOTT LAB (US) 2007-03-28 EP disclosed
US-20050267050-A1 Compositions and methods for treating mdma-induced toxicity YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-12-01 US disclosed
US-6872734-B2 Use of tiagabine for treatment of diabetic neuropathy and migraine ABBOTT LABORATORIES (US) 2005-03-29 US disclosed
EP-1484977-A2 COMPOSITIONS AND METHODS FOR TREATING MDMA-INDUCED TOXICITY YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2004-12-15 EP disclosed
WO-2003077831-A2 COMPOSITIONS AND METHODS FOR TREATING MDMA-INDUCED TOXICITY YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2003-09-25 WO disclosed
EP-1331933-A2 THE USE OF TIAGABINE FOR TREATMENT OF DIABETIC NEUROPATHY AND MIGRAINE Abbott Laboratories (US) 2003-08-06 EP disclosed
EP-0823909-B1 NOVEL HETEROCYCLIC CHEMISTRY BRITISH TECH GROUP INT (GB) 2002-09-11 EP disclosed
US-20020103236-A1 Use of tiagabine for treatment of diabetic neuropathy and migraine ABBVIE INC. 2002-08-01 US disclosed
WO-2002038144-A2 THE USE OF TIAGABINE FOR TREATMENT OF DIABETIC NEUROPATHY AND MIGRAINE ABBOTT LABORATORIES (US) 2002-05-16 WO disclosed
US-6071932-A SUPPRESSING ABSORPTION OF GAMMA-AMINOBUTYRIC ACID FOR TREATMENT OF NERVOUS SYSTEM DISORDERS BRITISH TECHNOLOGY GROUP INTERCORPORATE LICENSING LIMITED (GB) 2000-06-06 US disclosed
US-5010090-A N-(butenyl substituted) azaheterocyclic carboxylic acids NOVO NORDISK A/S. (DK) 1991-04-23 US disclosed
EP-0374801-A2 Novel N-sustituted azaheterocyclic carboxylic acids NOVO NORDISK A/S (DK) 1990-06-27 EP disclosed
US-4931450-A Amino acid derivatives NOVO INDUSTRI A/S (DK) 1990-06-05 US disclosed
EP-0342635-A1 Azacyclic carboxylic acid derivatives, their preparation and use NOVO NORDISK A/S (DK) 1989-11-23 EP disclosed
EP-0236342-A1 AMINO ACID DERIVATIVES. NOVO INDUSTRI AS (DK) 1987-09-16 EP disclosed
EP-0231996-A2 Novel amino acid derivatives NOVO NORDISK A/S (DK) 1987-08-12 EP disclosed
WO-1987000171-A1 AMINO ACID DERIVATIVES NOVO INDUSTRI A/S (DK) 1987-01-15 WO disclosed
EP-0066456-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND THEIR ESTERS SMITHKLINE BECKMAN CORPORATION (US) 1985-04-24 EP disclosed
US-4383999-A GAMMA-AMINOBUTYRIC ACID SEDATIVES, ANALGESTICS, ANTIEPILEPTIC, MUSCULAR AND PSYCHOLOGICAL DISORDERS SMITHKLINE BECKMAN CORPORATION (US) 1983-05-17 US disclosed
EP-0066456-A1 N-substituted azaheterocyclic carboxylic acids and their esters SMITHKLINE BECKMAN CORPORATION (US) 1982-12-08 EP disclosed