SCHEMBL309324

SCHEMBL309324

Cc1ncc(CCC(C)C)nc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
PDE10A Q9Y233 2/20 0.37
ESR1 P03372 5/20 0.37
ESR2 Q92731 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 3/20 0.33
SYK P43405 1/20 0.32
TLR7 Q9NYK1 2/20 0.32
CACNA2D1 P54289 1/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL31120892 1.00 NOS3 (0.44) NOS3NOS1NOS2PDE10AESR1
SCHEMBL9953928 0.79 NOS3 (0.41) NOS3NOS1NOS2PDE10AESR1
SCHEMBL31374320 0.79 NOS3 (0.41) NOS3NOS1NOS2PDE10AESR1
SCHEMBL18858529 0.78 NOS3 (0.44) NOS3NOS1NOS2ESR1ESR2
SCHEMBL9953811 0.77 NOS3 (0.39) NOS3NOS1NOS2PDE10AMAPT
SCHEMBL26975103 0.75 PDE10A (0.38) PDE10AALDH1A1
SCHEMBL12470750 0.75 PDE10A (0.38) PDE10A
SCHEMBL18858531 0.74 NOS3 (0.46) NOS3NOS1NOS2ESR1ESR2
SCHEMBL14944904 0.73 NOS3 (0.42) NOS3NOS1NOS2ESR1ESR2
SCHEMBL2616803 0.73 NOS2 (0.43) NOS2PDE10AESR1ESR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4489638-A2 METHOD AND APPARATUS FOR NON-INVASIVE DETECTION OF PATHOGENS IN WOUNDS Tao Treasures LLC DBA Nanobiofab (US) 2025-01-15 EP disclosed
CN-118922126-A Method and device for the non-invasive detection of pathogens in wounds 淘盛dba纳米生物制造公司 2024-11-08 CN disclosed
CN-118272274-B Lactic acid bacteria starter and application thereof in preparation of blueberry corn peptide fermentation liquor 齐齐哈尔大学 2024-08-09 CN disclosed
CN-118272274-A Lactic acid bacteria starter and application thereof in preparation of blueberry corn peptide fermentation liquor 齐齐哈尔大学 2024-07-02 CN disclosed
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
WO-2023172895-A2 METHOD AND APPARATUS FOR NON-INVASIVE DETECTION OF PATHOGENS IN WOUNDS TAO TREASURES LLC DBA NANOBIOFAB (US) 2023-09-14 WO disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-3601238-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES R. J. Reynolds Tobacco Company (US) 2020-02-05 EP disclosed
WO-2018172995-A1 METHODS OF SELECTIVELY FORMING SUBSTITUTED PYRAZINES R. J. REYNOLDS TOBACCO COMPANY (US) 2018-09-27 WO disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
US-4024289-A Flavoring with α-oxy(oxo)mercaptans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-17 US disclosed
US-4021488-A FLAVORS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-05-03 US disclosed
US-4000329-A Flavoring compositions and foods containing one or more alkyl side chain methyl substituted or unsubstituted 2,2,6-trimethyl-1-cyclohexen-1-vinyl alkanoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed