SCHEMBL4979877

SCHEMBL4979877

NC(=Nc1ccc(CCCCO)cc1)Nc1ccc(CCCCO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.62
GRIN2D O15399 5/20 0.62
GRIN3B O60391 5/20 0.62
GRIN1 Q05586 5/20 0.62
GRIN2A Q12879 5/20 0.62
GRIN2B Q13224 5/20 0.62
GRIN2C Q14957 5/20 0.62
GRIN3A Q8TCU5 5/20 0.62
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
AOC3 Q16853 1/20 0.48
ADRA2A P08913 1/20 0.48

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
SCHEMBL4985481 0.85 GRIN2D (0.68) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4980238 0.84 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10825147 0.77 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6155527 0.73 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4979869 0.73 SPHK1 (0.50) LMNA
Bromide SCHEMBL5461826 0.71 SPHK1 (0.49) LMNA
SCHEMBL2281406 0.71 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1273372 0.71 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10941147 0.71 SIGMAR1 (0.67) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL242504 0.71 CA2 (0.61) LMNASLC6A2TDP1ADRA2A

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-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO 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