SCHEMBL3455609

SCHEMBL3455609

CCc1nc2c(c(=O)n(C)c(=O)n2C)n1O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.52
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
RECQL P46063 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46

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
SCHEMBL7553023 0.87 TSHR (0.51) ADORA2BTSHRRXFP1KMT2AMEN1
SCHEMBL515612 0.84 RXFP1 (0.60) TSHRRXFP1KMT2AMEN1CYP2C19
SCHEMBL5272641 0.81 USP2 (0.51) ADORA2BTSHRRXFP1KMT2ACYP2C19
SCHEMBL8664912 0.80 TSHR (0.54) TSHRRXFP1KMT2AMEN1CYP2C19
SCHEMBL1054300 0.80 CYP2C19 (0.50) TSHRRXFP1KMT2AMEN1CYP2C19
Niacin SCHEMBL7757829 0.80 LMNA (0.51) ADORA2BTSHRRXFP1KMT2AMAOA
SCHEMBL8445876 0.78 TSHR (0.48) TSHRRXFP1KMT2AMEN1CYP2C19
Dimethylamine SCHEMBL11384972 0.76 TSHR (0.61) TSHRRXFP1KMT2AMEN1CYP2C19
Hydrochloric Acid SCHEMBL8421637 0.76 TSHR (0.47) TSHRRXFP1KMT2AMEN1CYP2C19
SCHEMBL28061963 0.76 RXFP1 (0.59) RXFP1KMT2AMEN1CYP2C19MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106692120-A Medicine composition of lidocaine and application of medicine composition 刘力 2017-05-24 CN claimed
CN-1957943-A Injection of monoamine cysteine of glycyrrhizicacid and preparation HE YAN (CN) 2007-05-09 CN claimed
WO-2002022127-A1 USE OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ANORECTAL DISORDERS ISIS INNOVATION LIMITED (GB) 2002-03-21 WO claimed
EP-0427247-B1 Pharmaceutical composition with R-alpha-lipoic acid or S-alpha-lipoic acid as the active ingredient ASTA MEDICA AG (DE) 1998-03-11 EP claimed
EP-0812590-A2 Use of R-alpha lipoic acid for cytoprotection ASTA Medica Aktiengesellschaft (DE) 1997-12-17 EP claimed
EP-0572922-A1 Synergistic combinations comprising lipoic acid and vitamines in medicaments ASTA Medica Aktiengesellschaft (DE) 1993-12-08 EP claimed
EP-0427247-A2 Pharmaceutical composition with R-alpha-lipoic acid or S-alpha-lipoic acid as the active ingredient ASTA Medica Aktiengesellschaft (DE) 1991-05-15 EP claimed
EP-0427246-A2 Pharmaceutical compositions comprising sulfur containing carboxylic acids as the active agent as well as their use for combatting retroviruses ASTA Medica Aktiengesellschaft (DE) 1991-05-15 EP claimed
US-4423043-A VETERINARY MEDICINE CIBA-GEIGY CORPORATION (US) 1983-12-27 US claimed
EP-0009559-B1 STABLE, LIQUID PHARMACEUTICAL FORMULATION, ITS PREPARATION AND USE CIBA-GEIGY AG (CH) 1982-08-25 EP claimed
EP-0007591-B1 STABLE MEDICINAL SOLUTION ON THE BASIS OF 2,6-DIAMINO-5-(3',4',5'-TRIMETHOXYBENZYL)-PYRIMIDINE(TRIMETHOPRIM) AND A SULPHONAMIDE, PROCESS FOR PREPARING AND USING IT CIBA-GEIGY AG (CH) 1982-07-28 EP claimed
CN-115943138-A Compositions comprising GARDOS channel antagonists and uses thereof 阿迪玛生物有限责任公司 2023-04-07 CN disclosed
CN-115427050-A Inhibition of beta-arrestin oligomerization in tauopathies 南佛罗里达大学 2022-12-02 CN disclosed
CN-115361948-A Methods and compositions for inhibiting dihydroorotate dehydrogenase 俄亥俄州国家创新基金会 2022-11-18 CN disclosed
CN-115335052-A Methods and compositions for inhibiting dihydroorotate dehydrogenase in combination with anti-CD 38 therapeutics 俄亥俄州国家创新基金会 2022-11-11 CN disclosed
US-4581359-A FOR BRONCHOPULMONARY INSUFFUCIENCY THE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1986-04-08 US disclosed
EP-0059974-B1 PROCESS FOR THE PREPARATION OF PHENOXYALCANECARBONIC-ACID ESTERS OF HYDROXYETHYL THEOPHYLINE Ludwig Merckle GmbH & Co. chem.-pharm. Fabrik (DE) 1985-07-31 EP disclosed
US-4423043-A VETERINARY MEDICINE CIBA-GEIGY CORPORATION (US) 1983-12-27 US disclosed
EP-0059974-A2 Process for the preparation of phenoxyalcanecarbonic-acid esters of hydroxyethyl theophyline Ludwig Merckle GmbH & Co. chem.-pharm. Fabrik (DE) 1982-09-15 EP disclosed
EP-0009559-A1 Stable, liquid pharmaceutical formulation, its preparation and use CIBA-GEIGY AG (CH) 1980-04-16 EP disclosed