SCHEMBL7275829

SCHEMBL7275829

CC(C)(C)NC(=O)C1CN(C(=O)OC(C)(C)C)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7367963 1.00 ADRA1D (0.41) ADRA1DADRA1AADRA1BUSP2SMN1; SMN2
SCHEMBL8402001 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2ALDH1A1
SCHEMBL8402002 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2ALDH1A1
SCHEMBL8402249 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BSMN1; SMN2ALDH1A1
SCHEMBL27567585 0.83 USP2 (0.45) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL24940 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL1350453 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL881661 0.82 USP2 (0.41) USP2SMN1; SMN2EPHX1MAPK1PTPN2
SCHEMBL13907982 0.82 ADRA1D (0.40) ADRA1DADRA1AADRA1BSMN1; SMN2KMT2A
SCHEMBL2392691 0.82 USP2 (0.44) USP2SMN1; SMN2EPHX1MAPK1PTPN2

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 12 patents. 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
US-5886181-A ASYMMETRIC HYDROGENATION OF THE CORRESPONDING 1,4,5,6-TETRAHYDROPYRAZINES LONZA, LTD. (CH) 1999-03-23 US disclosed
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 disclosed
EP-0710652-B1 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 1998-03-04 EP disclosed
US-5652369-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1997-07-29 US disclosed
US-5620987-A Amino acid derivatives HOFFMANN-LA ROCHE INC. (US) 1997-04-15 US disclosed
US-5554756-A PROTEASE INHIBITOR HOFFMANN-LA ROCHE INC. (US) 1996-09-10 US 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
US-5446161-A Protease inhibitor, viricides HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
EP-0346847-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 1994-05-11 EP disclosed
US-5157041-A Viricides HOFFMANN-LA ROCHE INC. (US) 1992-10-20 US disclosed
EP-0346847-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-12-20 EP disclosed