Piperazine

Piperazine

SCHEMBL28169968

C1CNCCN1.Cl.Clc1cccc(N2CCNCC2)c1Cl

nearest known ligand 0.93

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
▸ DRD2 P14416 7/20 0.93
▸ DRD3 P35462 7/20 0.93
▸ ADRB1 P08588 4/20 0.93
▸ HTR1A P08908 3/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ HTR3A P46098 2/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ CYP2C9 P11712 1/20 0.66
▸ DRD4 P21917 2/20 0.59
▸ HTR2A P28223 2/20 0.59
▸ HTR2C P28335 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ HTR6 P50406 3/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50

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
Hydrochloric Acid SCHEMBL246338 0.98 DRD2 (0.96) DRD2DRD3ADRB1HTR1ACYP1A2
Hydrochloric Acid SCHEMBL2217039 0.98 DRD2 (0.96) DRD2DRD3ADRB1HTR1ACYP1A2
Piperazine SCHEMBL28251276 0.98 DRD2 (0.96) DRD2DRD3ADRB1HTR1ACYP1A2
Hydrochloric Acid SCHEMBL29470848 0.98 DRD2 (0.96) DRD2DRD3ADRB1HTR1ACYP1A2
SCHEMBL6352699 0.96 DRD2 (1.00) DRD2DRD3ADRB1HTR1ACYP1A2
SCHEMBL8511 0.96 DRD2 (1.00) DRD2DRD3ADRB1HTR1ACYP1A2
SCHEMBL29367982 0.96 DRD2 (1.00) DRD2DRD3ADRB1HTR1ACYP1A2
Bromide SCHEMBL981906 0.95 DRD2 (0.96) DRD2DRD3ADRB1HTR1ACYP1A2
Hydrochloric Acid SCHEMBL253371 0.92 DRD2 (0.84) DRD2DRD3ADRB1HTR1ACYP1A2
SCHEMBL3609605 0.90 DRD2 (0.87) DRD2DRD3ADRB1HTR1ACYP1A2

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-107011288-A A kind of preparation method of aripiprazole intermediate 1 (2,3 dichlorophenyl) piperazine hydrochloride 齐鲁天和惠世制药有限公司 2017-08-04 — — CN disclosed
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