SCHEMBL4948085

SCHEMBL4948085

CC=Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRB2 P47870 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 2/20 0.44
FAAH O00519 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL14101410 1.00 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL14101206 0.88 CYP1A2 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL21694954 0.86 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243958 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243957 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL24835479 0.83 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5588857 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587811 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587855 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587586 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989137-A Chiral quinoline imidazoline compound containing imine, metal complex thereof, preparation method and application 浙江大学 2022-09-02 CN disclosed
CN-110062655-B Organometallic complex catalyst 国立研究开发法人产业技术综合研究所 2022-08-16 CN disclosed
CN-114787173-A Metal complexes 默克专利有限公司 2022-07-22 CN disclosed
CN-110049815-B Organometallic complex catalyst 国立研究开发法人产业技术综合研究所 2022-04-12 CN disclosed
US-20220032278-A1 ORGANOMETALLIC COMPLEX CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2022-02-03 US disclosed
CN-113646317-A Metal complexes 默克专利有限公司 2021-11-12 CN disclosed
US-11167278-B2 Organometallic complex catalyst ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2021-11-09 US disclosed
US-11161103-B2 Organometallic complex catalyst NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2021-11-02 US disclosed
CN-109563115-B Method for separating enantiomeric mixtures of metal complexes 默克专利有限公司 2021-10-01 CN disclosed
EP-3552699-B1 ORGANOMETALLIC COMPLEX CATALYST AIST (JP) 2021-05-19 EP disclosed
CN-107849077-B Bridged electroluminescent metal complexes for use in electronic devices 默克专利有限公司 2021-02-26 CN disclosed
CN-105916868-B Metal complexes 默克专利有限公司 2020-06-23 CN disclosed
US-20200188897-A1 ORGANOMETALLIC COMPLEX CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-06-18 US disclosed
CN-105555792-B Polycyclic phenylpyridine iridium complexes and derivatives thereof for OLEDs 默克专利有限公司 2019-12-31 CN disclosed
EP-3552700-A1 ORGANOMETALLIC COMPLEX CATALYST National Institute of Advanced Industrial Science and Technology (JP) 2019-10-16 EP disclosed
EP-3552699-A1 ORGANOMETALLIC COMPLEX CATALYST National Institute of Advanced Industrial Science and Technology (JP) 2019-10-16 EP disclosed
US-20190308182-A1 ORGANOMETALLIC COMPLEX CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-10-10 US disclosed
EP-1577314-B1 Catalyst based on a transition metal complex for polymerization of olefins, and process for polymerization of olefins using the catalyst TOSOH CORP (JP) 2008-08-27 EP disclosed
US-7319083-B2 Polymerized catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-01-15 US disclosed
US-20040157728-A1 For polymerizing or oligomerizing one or more olefins EXXONMOBIL CHEMICAL PATENTS INC. 2004-08-12 US disclosed