SCHEMBL25060189

SCHEMBL25060189

C/C=C(/C(C)=O)[C@H](N)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.39
GRIK2 Q13002 5/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
SLC1A3 P43003 2/20 0.39
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL23182180 0.79 DPP7 (0.38) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL1028767 0.79 DPP7 (0.38) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL13447398 0.75 SLC1A2 (0.43) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL14886193 0.74
SCHEMBL8299449 0.74
SCHEMBL6367974 0.74
Hydrochloric Acid SCHEMBL9548896 0.72
SCHEMBL21838759 0.71 GRIK1 (0.39) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
Norvaline SCHEMBL28363181 0.70 SLC1A2 (0.59) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL27902778 0.69 GRIK1 (0.43) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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-3798217-B1 PIPERIDINE CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-22 EP disclosed