SCHEMBL11305652

SCHEMBL11305652

CCCCCN(N)C(CCCN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
NOD1 Q9Y239 2/20 0.38
SLC1A3 P43003 1/20 0.38
MAPT P10636 1/20 0.37
CPB2 Q96IY4 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
GSR P00390 1/20 0.35
CA2 P00918 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
SCHEMBL11308884 0.95 GRIK1 (0.42) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL2860760 0.90 GSR (0.43) GRIK1GRIK2SLC1A2SLC1A1GPR84
Lysine SCHEMBL28835819 0.88 GSR (0.56) GRIK1GRIK2SLC1A2SLC1A1NOD1
SCHEMBL8019482 0.83 AKR1B1 (0.44) GPR84FFAR1NOD1PPARD
SCHEMBL9289262 0.83 NOD1 (0.40) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL472903 0.83 NOD1 (0.40) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL6860131 0.83 GRIK1 (0.49) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL5495880 0.82 NOD1 (0.42) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL5495885 0.82 NOD1 (0.42) GRIK1GRIK2SLC1A2SLC1A1GPR84
SCHEMBL28182375 0.81 GRIK1 (0.40) GRIK1GRIK2SLC1A2SLC1A1GPR84

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
EP-0012194-B1 PROCESS FOR THE PREPARATION OF N-CARBOXYALKYL-1-AMINOALKANE DIPHOSPHONIC ACIDS AND CARBOXYALKYLAMINO-PHENYL-METHANE DIPHOSPHONIC ACIDS Benckiser-Knapsack GmbH (DE) 1982-02-03 EP claimed