SCHEMBL8071024

SCHEMBL8071024

CCOC(CNCC(c1ccccc1)c1ccccc1)OCC.CCOC(CNCC(c1ccccc1)c1ccccc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.41
EPHX1 P07099 1/20 0.38
HTR2A P28223 3/20 0.37
HRH1 P35367 3/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
AOC3 Q16853 1/20 0.36
MMP8 P22894 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7026878 1.00 GRIN1 (0.47) GRIN1GRIN2AKMT2AMEN1L3MBTL1
SCHEMBL1285573 0.84 OPRM1 (0.50) GRIN1GRIN2AKMT2AMEN1HTT
SCHEMBL289500 0.78 SMN1; SMN2 (0.49) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL8315999 0.77 THRB (0.42) KMT2AEPHX1LMNA
SCHEMBL289244 0.76 APAF1 (0.53) KMT2AMEN1KDM4EHTTALDH1A1
Hydrochloric Acid SCHEMBL2811924 0.76 SMN1; SMN2 (0.47) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL289245 0.76 APAF1 (0.53) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL12231496 0.76 GRIN1 (0.57) GRIN1GRIN2AKMT2AMEN1L3MBTL1
SCHEMBL1285550 0.75 SIGMAR1 (0.50) KMT2AMEN1TAAR1
SCHEMBL23374639 0.74 GRIN1 (0.55) GRIN1GRIN2AKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017910-A PCP receptor ligands and the use thereof STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 2000-01-25 US disclosed