SCHEMBL8977699

SCHEMBL8977699

Nc1cc(CC2CCC(N)CC2)ccc1CC1CCC(N)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.34
IDO1 P14902 1/20 0.32
SPHK1 Q9NYA1 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GBA1 P04062 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
SCHEMBL15826731 0.92 CXCR4 (0.31) CXCR4SPHK1
SCHEMBL40067 0.86 IDO1 (0.32) IDO1SPHK1SLC6A2SLC6A4SLC6A3
SCHEMBL29398175 0.86 IDO1 (0.32) IDO1SPHK1SLC6A2SLC6A4SLC6A3
SCHEMBL19490781 0.84
SCHEMBL10703766 0.84 RYR2 (0.34)
SCHEMBL10620693 0.81 KDM4E (0.39) SPHK1SLC6A2SLC6A4SLC6A3
SCHEMBL40610 0.81 CYP3A4 (0.33)
SCHEMBL10943037 0.79 ALDH1A1 (0.36) SPHK1SLC6A2SLC6A4SLC6A3
SCHEMBL10805069 0.78 SKP2 (0.45) SPHK1SLC6A2SLC6A4SLC6A3
SCHEMBL28028910 0.77 TDP1 (0.37) IDO1SLC6A4GBA1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554823-B1 Epoxy resins cured with mixed methylene bridged poly(cyclohexyl-aromatic)amine curing agents AIR PROD & CHEM (US) 1996-04-24 EP claimed
CN-115279849-B Coating layer 佐敦有限公司 2025-03-14 CN disclosed
US-20230091804-A1 COATING JOTUN A/S (NO) 2023-03-23 US disclosed
CN-115717020-A Low VOC coating composition, anticorrosive coating film, substrate with coating film, and method for producing substrate with coating film 中国涂料株式会社 2023-02-28 CN disclosed
EP-4114903-A1 COATING Jotun A/S (NO) 2023-01-11 EP disclosed
CN-110770311-B Low VOC coating composition, anticorrosive coating film, substrate with coating film, and method for producing substrate with coating film 中国涂料株式会社 2022-12-23 CN disclosed
CN-115279849-A Coating layer 佐敦有限公司 2022-11-01 CN disclosed
EP-2447294-B1 Mixed Polycycloaliphatic Amines (MPCA) and MPCA Alkylates AIR PROD & CHEM (US) 2017-10-18 EP disclosed
US-8759470-B2 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-06-24 US disclosed
EP-2447294-A1 Mixed Polycycloaliphatic Amines (MPCA) and MPCA Alkylates Air Products and Chemicals, Inc. (US) 2012-05-02 EP disclosed
EP-2157110-B1 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates as curatives for polyisocyanates AIR PROD & CHEM (US) 2012-02-08 EP disclosed
US-8026318-B2 Mixed polycycloaliphatic amines (MPCA) and MPCA alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-09-27 US disclosed
US-20100048833-A1 Mixed Polycycloaliphatic Amines (MPCA) And MPCA Alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-25 US disclosed
EP-2157110-A2 Mixed Polycycloaliphatic Amines (MPCA) and MPCA Alkylates AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-02-24 EP disclosed