SCHEMBL13242519

SCHEMBL13242519

CC(=O)NC(C)CCC(C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
ACACB O00763 9/20 0.42
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20149718 0.87 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28663197 0.84 MTNR1A (0.41) ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL28513362 0.82 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13452338 0.81
SCHEMBL13645890 0.81 TAS1R3 (0.47) ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL18520329 0.81
SCHEMBL7890560 0.81
SCHEMBL27396612 0.81 TAS1R3 (0.47) ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL2330613 0.81 BHMT (0.46) MTNR1AMTNR1BALDH1A1
SCHEMBL22315077 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759435-B2 Adducts and curable compositions using same LOCTITE (R&D) LIMITED (IE) 2010-07-20 US disclosed
US-20080076886-A1 Backbones of polyethers, perfluorinated polyethers, polydimethylsiloxanes and hydroxy terminated polybutadienes coupled to phenyl, biphenyl, bisphenol A, bisphenol F, bisphenol S, bisphenol E, allyl, alkyl, alkenyl, carboxy, N-carbamoyl, cyclic amides, epoxy and a thermosetting component; toughening LOCTITE (R&D) LIMITED 2008-03-27 US disclosed