Piperazine

Piperazine

SCHEMBL28217692

C1CNCCN1.CC(O)CN1CCNCC1

nearest known ligand 0.55

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
SMN1; SMN2 Q16637 2/20 0.55
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
RAD52 P43351 1/20 0.40
IDO1 P14902 1/20 0.39
CXCR4 P61073 2/20 0.38
BAX Q07812 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BRD4 O60885 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI4 Q9UM07 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3422751 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CHRM5CHRM3RAD52IDO1
Hydrochloric Acid SCHEMBL21178220 0.98 SMN1; SMN2 (0.58) SMN1; SMN2CHRM5CHRM3RAD52IDO1
Hydrochloric Acid SCHEMBL8296060 0.98 SMN1; SMN2 (0.58) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL13833167 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL1974799 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL1393824 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL154268 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL10667505 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL22014102 0.95 SMN1; SMN2 (0.55) SMN1; SMN2CHRM5CHRM3RAD52IDO1
SCHEMBL20565492 0.95 SMN1; SMN2 (0.55) SMN1; SMN2CHRM5CHRM3RAD52IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108079748-A Hydroxypropylpiperazine class organic amine desulfurizer and its preparation method and application 合肥工业大学 2018-05-29 CN disclosed