Piperazine

Piperazine

SCHEMBL28217787

C1CNCCN1.CCc1ccccc1N1CCNCC1

nearest known ligand 0.96

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
HTR1A P08908 4/20 0.71
HTR2A P28223 3/20 0.71
DRD2 P14416 2/20 0.71
DRD3 P35462 2/20 0.71
DRD4 P21917 1/20 0.71
HTR2C P28335 1/20 0.71
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
SLC6A3 Q01959 1/20 0.59
ADRB1 P08588 4/20 0.59
HTR6 P50406 4/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTR7 P34969 3/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL335802 0.98 HTR1A (0.73) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL31561598 0.98 HTR1A (0.73) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL28078181 0.98 HTR1A (0.73) HTR1AHTR2ADRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7927336 0.96 HTR1A (0.71) HTR1AHTR2ADRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7982587 0.96 HTR1A (0.71) HTR1AHTR2ADRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7983458 0.90 HTR1A (0.63) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL29432674 0.86 HTR1A (0.58) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL404338 0.86 HTR1A (0.58) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL3805551 0.85 HTR1A (0.61) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL13563351 0.84 HTR1A (0.69) HTR1AHTR2ADRD2DRD3DRD4

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-108017659-A Benzimidazole and thiazole carboxamides class compound and its application 沈阳药科大学 2018-05-11 CN disclosed