SCHEMBL1900804

SCHEMBL1900804

CC(C)(C)NC(=O)[C@@H]1CNCCN1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SSTR4 P31391 3/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PRCP P42785 1/20 0.31
CNR2 P34972 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL3652033 1.00 L3MBTL1 (0.50) L3MBTL1SSTR4TSHRMAPK1ALDH1A1
SCHEMBL7558532 1.00 L3MBTL1 (0.50) L3MBTL1SSTR4TSHRMAPK1ALDH1A1
SCHEMBL18823908 0.86 L3MBTL1 (0.62) L3MBTL1SSTR4TSHRMAPK1ALDH1A1
SCHEMBL30049017 0.83 L3MBTL1 (0.37) L3MBTL1SSTR4ADRA1DADRA1AADRA1B
SCHEMBL26501818 0.82 L3MBTL1 (0.54) L3MBTL1TSHRMAPK1ALDH1A1ADRA1D
SCHEMBL15373851 0.82 L3MBTL1 (0.54) L3MBTL1TSHRMAPK1ALDH1A1ADRA1D
SCHEMBL1993835 0.80 CHRNB2 (0.47) L3MBTL1CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL1991927 0.80 CHRNB2 (0.47) L3MBTL1CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL2415851 0.80 CHRNB2 (0.47) L3MBTL1CHRNB2CHRNA7CHRNA4PRCP
SCHEMBL5892835 0.78 HDAC8 (0.32) CHRNB2CHRNA7CHRNA4HDAC8PRCP

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792869-A REACTING PIPERAZINE DERIVATIVE WITH SULFONAMIDE DERIVATIVE OF OPTICALLY ACTIVE AMINO ACID, PRECIPITATING LESS SOLUBLE SALT, SEPARATING, DECOMPOSING TO DESIRED DIASTEREOMER YAMAKAWA CHEMICAL INDUSTRY CO., LTD (JP) 1998-08-11 US claimed
EP-0710652-B1 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 1998-03-04 EP claimed
EP-0710652-A2 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-08 EP claimed
JP-11228546-A None JP disclosed
JP-8003145-A None JP disclosed
JP-10087636-A None JP disclosed
CN-104710408-A Chiral cis-imidazolines HOFFMANN LA ROCHE 2015-06-17 CN disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-8372849-B2 Heterocyclic compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-02-12 US disclosed
US-8372849-B2 Heterocyclic compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-02-12 US disclosed
EP-0710652-B1 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 1998-03-04 EP disclosed
WO-1997011698-A1 ALPHA 1b ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-03 WO disclosed
EP-0754686-A1 2-cyanopiperazine and use thereof for the synthesis of biologically active substances Mitsubishi Chemical Corporation (JP) 1997-01-22 EP disclosed
EP-0705824-A4 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-TERT-BUTYL-2-PIPERAZINECARBOXAMIDE AND METHOD OF RACEMIZING THE AMIDE KOEI CHEMICAL CO (JP) 1996-08-14 EP disclosed
EP-0710652-A2 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-08 EP disclosed
EP-0705824-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-TERT-BUTYL-2-PIPERAZINECARBOXAMIDE AND METHOD OF RACEMIZING THE AMIDE KOEI CHEMICAL CO., LTD. (JP) 1996-04-10 EP disclosed
EP-0705824-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-TERT-BUTYL-2-PIPERAZINECARBOXAMIDE AND METHOD OF RACEMIZING THE AMIDE KOEI CHEMICAL CO., LTD. (JP) 1996-04-10 EP disclosed
JP-H083145-A PRODUCTION OF OPTICALLY ACTIVE N-TERT-BUTYL-2-PIPERAZINECARBOXAMIDE KOEI CHEM CO LTD 1996-01-09 JP disclosed
WO-1995029170-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-TERT-BUTYL-2-PIPERAZINECARBOXAMIDE AND METHOD OF RACEMIZING THE AMIDE KOEI CHEMICAL CO., LTD. (JP) 1995-11-02 WO disclosed