SCHEMBL8662590

SCHEMBL8662590

CCCCCCC(CCN)C(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.49
GRIK2 Q13002 2/20 0.49
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
RRM1 P23921 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ACE2 Q9BYF1 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
LAP3 P28838 1/20 0.42

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
SCHEMBL3024374 0.93 GPR84 (0.55) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL7193866 0.93 GPR84 (0.55) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL28303044 0.93 GPR84 (0.55) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL3100665 0.91 GRIK1 (0.53) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL2983835 0.91 GRIK1 (0.53) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL2983833 0.91 GRIK1 (0.53) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL341675 0.88 GRIK1 (0.45) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL29157044 0.87 GRIK1 (0.44) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL9634478 0.86 GRIK1 (0.44) GRIK1GRIK2GPR84FFAR1MAPT
SCHEMBL28491046 0.82 GABRR1 (0.48) GRIK1GRIK2SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649303-B1 SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF CORNELL RES FOUNDATION INC (US) 1998-11-25 EP disclosed
US-5453441-A Enzyme inhibitors and hypertensive agents CORNELL RESEARCH FOUNDATION, INC. (US) 1995-09-26 US disclosed
US-5281627-A Guanidine substituted arginines CORNELL RESEARCH FOUNDATION, INC. (US) 1994-01-25 US disclosed