SCHEMBL8103030

SCHEMBL8103030

NC(=O)OC1CNCCN1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
PARP1 P09874 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
SCHEMBL10863883 0.82
SCHEMBL7587103 0.81 SLC6A1 (0.33)
SCHEMBL2905562 0.81 SLC6A1 (0.33)
Hydrochloric Acid SCHEMBL7590833 0.79 SLC6A1 (0.32)
Hydrochloric Acid SCHEMBL8112201 0.79 SLC6A1 (0.32)
SCHEMBL1351693 0.79 CHRM2 (0.33)
SCHEMBL31031091 0.78 CHRM2 (0.33)
SCHEMBL19209920 0.78 SLC6A1 (0.31)
Hydrochloric Acid SCHEMBL28060494 0.78 CHRM2 (0.33)
Hydrochloric Acid SCHEMBL27835399 0.78 CHRM2 (0.33)

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
CN-110483608-A Arenobufagin derivative and preparation method thereof, the composition comprising the derivative, and application thereof SHANGHAI INST MATERIA MEDICA CAS 2019-11-22 CN disclosed
EP-0756593-B1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2000-09-20 EP disclosed
EP-0756593-B1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 2000-09-20 EP disclosed
EP-0756593-A1 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1997-02-05 EP 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
WO-1995029169-A2 PROCESS FOR PREPARING 2-PIPERAZINE CARBOXYLIC ACID DERIVATIVES LONZA AG (CH) 1995-11-02 WO disclosed