Piperazine

Piperazine

SCHEMBL7388680

C1CNCCN1.c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.81

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 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.81
CYP11B2 P19099 8/20 0.81
TNF P01375 1/20 0.81
HTT P42858 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPK1 P28482 1/20 0.65
LMNA P02545 4/20 0.63
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTR6 P50406 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PKM P14618 1/20 0.49

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
SCHEMBL230002 0.90 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31357411 0.90 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL13907295 0.85 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL27839811 0.84 CYP11B1 (0.87) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL27699770 0.84 CYP11B1 (0.87) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL28610944 0.83 CYP11B1 (0.84) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL9049676 0.81 CYP11B1 (1.00) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL31722842 0.80 CYP11B1 (0.80) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL3177643 0.80 CYP11B1 (0.80) CYP11B1CYP11B2TNFHTTSMN1; SMN2
Pyrene SCHEMBL28304362 0.79 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628549-B1 New 1-phenylmethyl benzimidazole piperazine derivatives ESPANOLA DE PRODUCTOS FAB (ES) 2000-12-06 EP claimed
EP-0628549-A1 New 1-phenylmethyl benzimidazole piperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-12-14 EP claimed
EP-0628549-B1 New 1-phenylmethyl benzimidazole piperazine derivatives ESPANOLA DE PRODUCTOS FAB (ES) 2000-12-06 EP disclosed
EP-0628549-B1 New 1-phenylmethyl benzimidazole piperazine derivatives ESPANOLA DE PRODUCTOS FAB (ES) 2000-12-06 EP disclosed
US-5672604-A SEROTONIN RECEPTOR ANTAGONISTS FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS (FAES) (ES) 1997-09-30 US disclosed
US-5672604-A SEROTONIN RECEPTOR ANTAGONISTS FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS (FAES) (ES) 1997-09-30 US disclosed
US-5672604-A SEROTONIN RECEPTOR ANTAGONISTS FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS (FAES) (ES) 1997-09-30 US disclosed
EP-0628549-A1 New 1-phenylmethyl benzimidazole piperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-12-14 EP disclosed
EP-0628549-A1 New 1-phenylmethyl benzimidazole piperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-12-14 EP disclosed
EP-0628549-A1 New 1-phenylmethyl benzimidazole piperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1994-12-14 EP disclosed