SCHEMBL8103057

SCHEMBL8103057

O=C(OC(=O)N1CCNCC1)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
CHRNB3 Q05901 1/20 0.54
CHRNA6 Q15825 1/20 0.54
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
CHKA P35790 1/20 0.50
SIGMAR1 Q99720 1/20 0.42
HSD11B1 P28845 1/20 0.41
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 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
SCHEMBL29437665 0.91 CA2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28744445 0.88 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28784020 0.86 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27554029 0.86 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19204844 0.86 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7575410 0.86 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28213419 0.84 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25298004 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13637550 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27710952 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-0756593-B1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2000-09-20 EP claimed
US-5856485-A RESOLUTION OF AN ENANTIOMORPH MIXTURE LONZA AG (CH) 1999-01-05 US claimed
EP-0756593-B1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2000-09-20 EP disclosed
US-5856485-A RESOLUTION OF AN ENANTIOMORPH MIXTURE LONZA AG (CH) 1999-01-05 US disclosed
US-5856485-A RESOLUTION OF AN ENANTIOMORPH MIXTURE LONZA AG (CH) 1999-01-05 US disclosed
EP-0756593-A1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1997-02-05 EP disclosed
WO-1995029169-A3 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1995-12-21 WO disclosed
WO-1995029169-A2 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1995-11-02 WO disclosed