Piperazine

Piperazine

SCHEMBL28112872

C1CNCCN1.CCOC(=O)F

nearest known ligand 0.42

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 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 2/20 0.39
OPRM1 P35372 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL285747 0.84
Hydrochloric Acid SCHEMBL27781052 0.82
SCHEMBL28369105 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28881794 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
Piperazine SCHEMBL16275017 0.78 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15OPRM1
Piperazine SCHEMBL6093828 0.78 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10ALOX15OPRM1
Piperazine SCHEMBL27792846 0.76 ALDH1A1 (0.67) ALDH1A1LMNAHSD17B10ALOX15OPRM1
Piperazine SCHEMBL28654365 0.74 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10ALOX15OPRM1
SCHEMBL28395715 0.73 GAA (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
Urethane SCHEMBL9283710 0.73

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-104619709-B Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-11-09 CN disclosed