Piperazine

Piperazine

SCHEMBL7803531

C1CNCCN1.COc1nc2ccccc2nc1NC(=S)Oc1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Piperazine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
HRH4 Q9H3N8 2/20 0.33
GAA P10253 2/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6559651 0.92 L3MBTL1 (0.40) ALDH1A1CYP1A2CYP3A4MAPK1LMNA
SCHEMBL6561301 0.79 KMT2A (0.36) ALDH1A1CYP1A2CYP3A4LMNAHSD17B10
SCHEMBL6560382 0.77 ALDH1A1 (0.50) ALDH1A1TP53CYP1A2LMNAL3MBTL1
Phenylpiperazine SCHEMBL7795027 0.76 GAA (0.46) ALDH1A1TSHRHSD17B10L3MBTL1KDM4E
SCHEMBL7803116 0.76 KMT2A (0.46) ALDH1A1CYP1A2CYP3A4LMNAKDM4E
Piperazine SCHEMBL7803530 0.75 HDAC6 (0.40) ALDH1A1CYP1A2MAPK1LMNAALOX15
SCHEMBL6956523 0.73 RAB9A (0.40) ALDH1A1CYP1A2CYP3A4L3MBTL1HDAC6
SCHEMBL7795019 0.73 MAPT (0.44) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL7803533 0.69 TP53 (0.36) ALDH1A1TP53CYP1A2CYP3A4TSHR
SCHEMBL7803077 0.66 KDM4E (0.42) ALDH1A1CYP1A2CYP3A4MAPK1LMNA

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
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed