SCHEMBL9640976

SCHEMBL9640976

CCCC(NC)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A2 P23975 1/20 0.40

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
SCHEMBL11787819 0.86 SLC6A4 (0.49) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11632912 0.81 SLC6A4 (0.47) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11566794 0.80 ALDH1A1 (0.47) SLC6A4ALDH1A1
SCHEMBL1379349 0.78 ALDH1A1 (0.50) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13076103 0.77 ESR1 (0.41) SLC6A4SLC6A2
SCHEMBL8351658 0.77 HTR2A (0.34) SLC6A4ALDH1A1CYP2C19
SCHEMBL7705711 0.77 ALDH1A1 (0.48) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22926387 0.76 MEN1 (0.39) ALDH1A1
SCHEMBL2126036 0.75 ALDH1A1 (0.47) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22288187 0.75 CYP1A2 (0.47) SLC6A4ALDH1A1CYP1A2CYP2C9CYP2C19

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
EP-4536645-A1 PROCESS FOR MAKING A SUBSTANTIALLY NITROSAMINE-FREE, SUBSTANTIALLY PEROXIDE-FREE, SUBSTANTIALLY COLORLESS AMINE OXIDE BASF SE (DE) 2025-04-16 EP disclosed
CN-119365447-A Process for preparing substantially nitrosamine-free, peroxide-free, substantially colorless amine oxide 巴斯夫欧洲公司 2025-01-24 CN disclosed
WO-2023237729-A1 PROCESS FOR MAKING A SUBSTANTIALLY NITROSAMINE-FREE, SUBSTANTIALLY PEROXIDE-FREE, SUBSTANTIALLY COLORLESS AMINE OXIDE BASF SE (DE) 2023-12-14 WO disclosed
EP-0320694-B1 AMINE OXIDE PROCESS ETHYL CORPORATION (US) 1992-09-16 EP disclosed
EP-0424965-A1 Amine oxide process ETHYL CORPORATION (US) 1991-05-02 EP disclosed
US-4994614-A Reacting tertiary amines with aqueous hydrogen peroxide in presence of synergistic combination of ascorbic acid and carbon dioxide; purity ETHYL CORPORATION (US) 1991-02-19 US disclosed
US-4942260-A REACTION OF A TERT-AMINE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF CATALYTIC CARBON DIOXIDE ETHYL CORPORATION (US) 1990-07-17 US disclosed
EP-0356918-A1 Amine oxide process ETHYL CORPORATION (US) 1990-03-07 EP disclosed
US-4889954-A DIALKYLCARBONATE CATALYST ETHYL CORPORATION (US) 1989-12-26 US disclosed
EP-0307184-A2 Preparation of Amine Oxides ETHYL CORPORATION (US) 1989-03-15 EP disclosed