SCHEMBL2143306

SCHEMBL2143306

C=CCN1CCCCC1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
SCN3A Q9NY46 1/20 0.33
LMNA P02545 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRCP P42785 1/20 0.32
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 4/20 0.31
DRD3 P35462 4/20 0.31
DRD4 P21917 3/20 0.31
TRHR P34981 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNK3 O14649 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL9150599 0.95 POLB (0.39) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL15665432 0.95 POLB (0.39) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL9150605 0.95 POLB (0.39) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL5531122 0.84 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL5898651 0.83 SMN1; SMN2 (0.42) PRCPALDH1A1SMN1; SMN2
SCHEMBL28141653 0.80 DRD2 (0.35) PRCPDRD2DRD3DRD4CA12
SCHEMBL2558042 0.79 POLB (0.39) POLBSPHK1SCN3ALMNAMAOA
SCHEMBL351763 0.79 CYP1A2 (0.40) LMNASMN1; SMN2HTR2A
SCHEMBL351762 0.79 CYP1A2 (0.40) LMNASMN1; SMN2HTR2A
SCHEMBL15665285 0.79 CYP1A2 (0.40) LMNASMN1; SMN2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234974-B1 PROCESS FOR THE PREPARATION OF (S)-1-ALKYL-2',6'-PIPECOLOXYLIDIDE COMPOUND PHARMATHEN SA (GR) 2012-04-25 EP disclosed
EP-2234974-A1 PROCESS FOR THE PREPARATION OF (S)-1-ALKYL-2',6'-PIPECOLOXYLIDIDE COMPOUND Pharmathen S.A. (GR) 2010-10-06 EP disclosed
WO-2009089841-A1 PROCESS FOR THE PREPARATION OF (S)-1-ALKYL-2',6'-PIPECOLOXYLIDIDE COMPOUND PHARMATHEN S.A. (GR) 2009-07-23 WO disclosed
WO-2009044404-A1 PROCESS FOR THE PREPARATION OF (S)-ROPIVACAINE HYDROCHLORIDE MONOHYDRATE GOEL RAMNIWAS (IN) 2009-04-09 WO disclosed
EP-0151110-B1 L-N-N-PROPYLPIPECOLIC ACID-2,6-XYLIDIDE AND METHOD FOR PREPARING THE SAME Astra Läkemedel Aktiebolag (SE) 1989-03-01 EP disclosed
US-4695576-A LOCAL ANESTHETIC Astra Lake Medel Aktiebolag (SE) 1987-09-22 US disclosed
EP-0151110-A1 L-N-n-PROPYLPIPECOLIC ACID-2,6-XYLIDIDE AND METHOD FOR PREPARING THE SAME. THURESSON AF EKENSTAM BO (SE) 1985-08-14 EP disclosed
WO-1985000599-A1 L-N-n-PROPYLPIPECOLIC ACID-2,6-XYLIDIDE AND METHOD FOR PREPARING THE SAME A/S APOTHEKERNES LABORATORIUM FOR SPECIALPRAEPARAT (NO) 1985-02-14 WO disclosed