SCHEMBL6396174

SCHEMBL6396174

C1CCC(c2nnnc(C3CCCCC3)c2C2CCCCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL21306225 0.84 HRH2 (0.33) HRH2HRH3NISCHTDP1L3MBTL1
SCHEMBL21306244 0.73 CHRM3 (0.36) HRH2HRH3PDE5ATDP1L3MBTL1
SCHEMBL8687209 0.73 HRH2 (0.32) HRH2HRH3ALDH1A1HPGD
SCHEMBL5696890 0.70 HRH2 (0.30) HRH2HRH3
SCHEMBL3101449 0.70 TDO2 (0.38) ALDH1A1
SCHEMBL9350412 0.70 TDO2 (0.38) ALDH1A1
SCHEMBL21306241 0.69 ALDH1A1 (0.41) HRH2HRH3NISCHPDE5APDE1A
SCHEMBL28948825 0.67 TDO2 (0.39) TDP1L3MBTL1ALDH1A1
SCHEMBL10847567 0.67 ALDH1A1 (0.35) NISCHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30488589 0.67 ALDH1A1 (0.35) NISCHKDM4EALDH1A1HPGDHSD17B10

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
US-10991980-B2 Electrolytic solution for secondary battery, secondary battery, battery pack, electrically-driven vehicle, electric power storage system, electrically-driven tool, and electronic device MURATA MANUFACTURING CO., LTD. (JP) 2021-04-27 US disclosed
US-20190267672-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, BATTERY PACK, ELECTRICALLY-DRIVEN VEHICLE, ELECTRIC POWER STORAGE SYSTEM, ELECTRICALLY-DRIVEN TOOL, AND ELECTRONIC DEVICE MURATA MANUFACTURING CO., LTD. (JP) 2019-08-29 US disclosed
EP-1445272-B1 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same AIR PROD & CHEM (US) 2016-08-31 EP disclosed
US-6962964-B2 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-11-08 US disclosed
US-20040162409-A1 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same EVONIK OPERATIONS GMBH (DE) 2004-08-19 US disclosed
EP-1445272-A2 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-08-11 EP disclosed
EP-0554823-B1 Epoxy resins cured with mixed methylene bridged poly(cyclohexyl-aromatic)amine curing agents AIR PROD & CHEM (US) 1996-04-24 EP disclosed
US-5414067-A Raising the temperature of the curable epoxy group polymers to speed curing AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-05-09 US disclosed
US-5280091-A Polyglycidyl polyether of a polyhydric alcohol AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-01-18 US disclosed
EP-0554823-A1 Epoxy resins cured with mixed methylene bridged poly(cyclohexyl-aromatic)amine curing agents AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-08-11 EP disclosed