SCHEMBL325890

SCHEMBL325890

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
SLC1A3 P43003 3/20 0.40
GRIK1 P39086 3/20 0.40
GRIK2 Q13002 3/20 0.40
CACNA2D1 P54289 2/20 0.37
ADRA1A P35348 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 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
SCHEMBL325889 1.00 ALDH1A1 (0.42) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL325582 0.89 S1PR2 (0.45) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL325583 0.89 S1PR2 (0.45) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL326176 0.88 CACNA2D1 (0.42) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL27581282 0.87 GPR84 (0.49) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL27623727 0.86 GPR84 (0.51) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL27487298 0.86 GPR84 (0.51) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL4992819 0.80 ALDH1A1 (0.39) ALDH1A1SLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL4985950 0.80 SLC1A2 (0.37) ALDH1A1S1PR2S1PR1SLC1A2SLC1A1
SCHEMBL3713739 0.79 CACNA2D1 (0.58) ALDH1A1SLC1A2SLC1A1SLC1A3GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800740-A1 N-AMINOSULFONYL BENZAMIDES Pfizer Limited (GB) 2014-11-12 EP disclosed
EP-2731959-A1 ENKEPHALIN ANALOGUES Pfizer Limited (GB) 2014-05-21 EP disclosed
WO-2013102826-A1 N-AMINOSULFONYL BENZAMIDES PFIZER LIMITED (GB) 2013-07-11 WO disclosed
EP-2593428-A2 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Pfizer Limited (GB) 2013-05-22 EP disclosed
EP-2590957-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2013008123-A1 ENKEPHALIN ANALOGUES PFIZER LIMITED (GB) 2013-01-17 WO disclosed
WO-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012004714-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2010018484-A1 NEW USES OF DIISOPROPYLAMINE DERIVATIVES PFIZER LIMITED (GB) 2010-02-18 WO disclosed