SCHEMBL8763440

SCHEMBL8763440

CCc1cccc(Cc2cccc(CC)c2OC#N)c1OC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MGLL Q99685 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ELANE P08246 1/20 0.30
PGR P06401 1/20 0.30
HPGD P15428 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
SCHEMBL4689603 0.83 GABRA1 (0.38) GABRA1GABRB2NPSR1MAPTL3MBTL1
SCHEMBL1146274 0.78
SCHEMBL23597026 0.74 DHFR (0.36)
SCHEMBL8763456 0.74 GABRA1 (0.36) GABRA1GABRB2NPSR1MAPTL3MBTL1
SCHEMBL6748000 0.72 L3MBTL1 (0.48) GABRA1GABRB2NPSR1MAPTL3MBTL1
SCHEMBL31084413 0.72 L3MBTL1 (0.48) GABRA1GABRB2NPSR1MAPTL3MBTL1
Nitrogen SCHEMBL10975955 0.71 MAPT (0.47) GABRA1GABRB2NPSR1MAPTL3MBTL1
SCHEMBL8763164 0.69 GABRA1 (0.48) GABRA1GABRB2MAPTTAAR1HTR1A
SCHEMBL11361204 0.69 GABRA1 (0.52) GABRA1GABRB2NPSR1MAPTL3MBTL1
SCHEMBL8901133 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed