SCHEMBL4985669

SCHEMBL4985669

CCCCOc1cc(NC(=N)Nc2ccc(OC)c(OCCCC)c2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
MAPT P10636 3/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
C5 P01031 2/20 0.52
C5AR1 P21730 1/20 0.50
SMPD1 P17405 4/20 0.48
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PRSS1 P07477 3/20 0.46
LMNA P02545 1/20 0.44

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
Bromide SCHEMBL5457346 0.99 FAAH (0.57) FAAHMAPTHSD17B10HTTMEN1
SCHEMBL4983901 0.82 MAPT (0.48) FAAHMAPTHSD17B10HTTMEN1
SCHEMBL22502142 0.80 C5 (0.65) FAAHMAPTHSD17B10HTTMEN1
Oxalic Acid SCHEMBL4981838 0.78 MAPT (0.49) FAAHMAPTHSD17B10HTTMEN1
SCHEMBL4983215 0.76 PTGES (0.56) FAAHGAALMNA
SCHEMBL19476963 0.75 EHMT2 (0.56)
Bromide SCHEMBL5458791 0.74 PTGES (0.55) FAAHGAALMNA
SCHEMBL18784001 0.74 CA12 (0.63) MAPTHTTMEN1KMT2ASMPD1
SCHEMBL6588516 0.73 SMPD1 (0.64) FAAHMEN1KMT2ASMPD1PDE4A
SCHEMBL10789734 0.73 KMT2A (0.56) MAPTMEN1GAAKMT2A

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
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
EP-0751767-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0751767-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-01-08 EP disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed