SCHEMBL2909702

SCHEMBL2909702

CCCCC(C)C[C@H](N)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
SLC1A3 P43003 1/20 0.44
GPR84 Q9NQS5 4/20 0.43
ACE2 Q9BYF1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC15A1 P46059 1/20 0.40
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
BHMT Q93088 1/20 0.38
CA1 P00915 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL3958660 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL122149 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL584298 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL2909705 1.00 S1PR2 (0.46) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Hydrochloric Acid SCHEMBL1199813 0.98 S1PR2 (0.45) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Hydrochloric Acid SCHEMBL3140001 0.98 S1PR2 (0.45) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL3967142 0.95 GPR84 (0.50) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
SCHEMBL3963429 0.95 GPR84 (0.50) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Imagabalin SCHEMBL119441 0.89 ALDH1A1 (0.43) S1PR2S1PR1SLC1A2SLC1A1SLC1A3
Imagabalin SCHEMBL3961605 0.89 ALDH1A1 (0.43) S1PR2S1PR1SLC1A2SLC1A1SLC1A3

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
EP-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 EP disclosed
EP-3459958-B1 PROCESS AND INTERMEDIATES FOR PREPARING PRODRUGS OF PYRIDONE AMIDES USEFUL AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-08-07 EP disclosed
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 EP disclosed
EP-1742950-B1 PYRAZOLO[4,3-D] PYRIMIDINES PFIZER LTD (GB) 2008-12-17 EP disclosed