SCHEMBL7588093

SCHEMBL7588093

NCCCC(=O)OCCCCOC(=O)CCCN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
HTR2C P28335 1/20 0.50
DGKA P23743 1/20 0.46
THRB P10828 3/20 0.46
BLM P54132 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
HDAC3 O15379 1/20 0.46
GABBR2 O75899 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRR1 P24046 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRR2 P28476 1/20 0.46

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
SCHEMBL20824974 0.98 CYP1A2 (0.61) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL26946426 0.98 CYP1A2 (0.61) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL20417368 0.95 CYP1A2 (0.64) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL27588223 0.91 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL11847129 0.91 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL3764429 0.91 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL11853523 0.91 DGKA (0.54) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL7590365 0.90 CYP1A2 (0.64) CYP1A2HTR2CDGKATHRBBLM
SCHEMBL26460328 0.89 HTR2C (0.66) CYP1A2HTR2CDGKATHRBTSHR
Hydrochloric Acid SCHEMBL11847579 0.89 DGKA (0.52) CYP1A2HTR2CDGKATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002053526-A1 NEW COMPOUNDS FOR USE AS INTERMEDIATES IN LINEAR BLOCK POLYMER AND NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO claimed
WO-2002053616-A1 NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO claimed
WO-2002053526-A1 NEW COMPOUNDS FOR USE AS INTERMEDIATES IN LINEAR BLOCK POLYMER AND NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO disclosed
WO-2002053616-A1 NEW LINEAR BLOCK POLYMER ARTIMPLANT AB (SE) 2002-07-11 WO disclosed