Piperazine

Piperazine

SCHEMBL28060958

C1CNCCN1.CC1=CC(C)NN1c1ccccc1

nearest known ligand 0.40

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
ADRB1 P08588 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
G6PD P11413 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
ALOX12 P18054 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 2/20 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
SCHEMBL28101301 0.93 LOX (0.37) GAAG6PDL3MBTL1KDM4EALDH1A1
SCHEMBL29293752 0.78 F2 (0.34) ADRB1GAAALDH1A1MAPTTDP1
SCHEMBL17270065 0.78 ADRB1 (0.51) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL23392248 0.73 ALOX5 (0.41) GAAL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL21254123 0.71 ADRB1 (0.38) ADRB1TSHRL3MBTL1KDM4EALDH1A1
SCHEMBL7798882 0.67 GAA (0.42) GAAUSP2G6PDL3MBTL1KDM4E
Toluene SCHEMBL11325202 0.63 ACHE (0.65) ADRB1SIGMAR1HTR3EHTR3BHTR3A
Toluene SCHEMBL5320366 0.63 ACHE (0.65) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL29327306 0.62 HTR2C (0.51) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL27777689 0.62 HTR2C (0.51) ADRB1SIGMAR1HTR3EHTR3BHTR3A

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-103477463-B Organic illuminating element, organometallic complex, light-emitting device, electronic equipment and illuminator 株式会社半导体能源研究所 2016-08-10 CN disclosed