SCHEMBL27622979

SCHEMBL27622979

CC1CN(C(=O)OC(C)(C)C)CCN1.CC1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
NR1H2 P55055 1/20 0.37
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SETD7 Q8WTS6 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL103217 0.87 PARP1 (0.46) PARP1USP2SMN1; SMN2SETD7HPGD
SCHEMBL102292 0.87 PARP1 (0.46) PARP1USP2SMN1; SMN2SETD7HPGD
SCHEMBL102293 0.87 PARP1 (0.46) PARP1USP2SMN1; SMN2SETD7HPGD
Piperazine SCHEMBL28853588 0.85 NR1H2 (0.45) NR1H2USP2SMN1; SMN2MAPK1MEN1
Potassium SCHEMBL30616188 0.85 PARP1 (0.45) PARP1USP2SMN1; SMN2SETD7HPGD
Methane SCHEMBL28975622 0.85 PARP1 (0.45) PARP1USP2SMN1; SMN2SETD7HPGD
Hydrochloric Acid SCHEMBL377440 0.85 PARP1 (0.45) PARP1USP2SMN1; SMN2SETD7HPGD
SCHEMBL105348 0.85 NR1H2 (0.47) NR1H2USP2SMN1; SMN2MAPK1MEN1
SCHEMBL16843 0.85 NR1H2 (0.47) NR1H2USP2SMN1; SMN2MAPK1MEN1
SCHEMBL16018 0.85 NR1H2 (0.47) NR1H2USP2SMN1; SMN2MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100360510-C Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2008-01-09 CN disclosed
CN-1681797-A Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2005-10-12 CN disclosed