SCHEMBL466728

SCHEMBL466728

CC=CC(C)CCC(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31

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
SCHEMBL466727 1.00 OPRM1 (0.35) OPRM1GABRPGABRDGABRA1GABRB1
SCHEMBL22423462 1.00 OPRM1 (0.35) OPRM1GABRPGABRDGABRA1GABRB1
SCHEMBL466753 0.85 OPRM1 (0.42) OPRM1GABRPGABRDGABRA1GABRB1
SCHEMBL466754 0.85 OPRM1 (0.42) OPRM1GABRPGABRDGABRA1GABRB1
SCHEMBL2004359 0.78
SCHEMBL2004361 0.78
SCHEMBL466629 0.76
SCHEMBL466604 0.76
SCHEMBL466628 0.76
SCHEMBL7553142 0.76

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
US-8877857-B2 Polar group-containing copolymer, rubber composition and studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2014-11-04 US disclosed
EP-2404944-B1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
CN-102365306-B Polar group-containing copolymer, rubber composition and studless tire SUMITOMO RUBBER IND 2014-04-02 CN disclosed
US-20120095153-A1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
CN-102365306-A Polar group-containing copolymer, rubber composition and studless tire SUMITOMO RUBBER IND 2012-02-29 CN disclosed
EP-2404944-A1 POLAR GROUP-CONTAINING COPOLYMER, RUBBER COMPOSITION AND STUDLESS TIRE Sumitomo Rubber Industries, Ltd. (JP) 2012-01-11 EP disclosed