SCHEMBL326176

SCHEMBL326176

CCC(CC)CC(N)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.42
CACNB3 P54284 1/20 0.42
CACNA1C Q13936 1/20 0.42
PGR P06401 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.42
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.35
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ENPEP Q07075 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33

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
SCHEMBL325890 0.88 ALDH1A1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL325889 0.88 ALDH1A1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL325583 0.85 S1PR2 (0.45) SLC1A3SLC1A2SLC1A1S1PR2S1PR1
SCHEMBL325582 0.85 S1PR2 (0.45) SLC1A3SLC1A2SLC1A1S1PR2S1PR1
SCHEMBL27581282 0.83 GPR84 (0.49) SLC1A3SLC1A2SLC1A1S1PR2S1PR1
SCHEMBL27487298 0.82 GPR84 (0.51) SLC1A2SLC1A1S1PR2S1PR1LMNA
SCHEMBL27623727 0.82 GPR84 (0.51) SLC1A2SLC1A1S1PR2S1PR1LMNA
SCHEMBL288772 0.80
SCHEMBL497748 0.80
SCHEMBL637556 0.80

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 7 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
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-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