Methylpiperazine

Methylpiperazine

SCHEMBL8775333

CN1CCN(c2ccccc2)CC1.CN1CCNCC1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.70
SIGMAR1 Q99720 2/20 0.70
HTR3A P46098 2/20 0.70
HTR3E A5X5Y0 1/20 0.70
HTR3B O95264 1/20 0.70
HTR3D Q70Z44 1/20 0.70
HTR3C Q8WXA8 1/20 0.70
USP2 O75604 2/20 0.53
CYP2D6 P10635 1/20 0.53
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
LTA4H P09960 1/20 0.51
ADRA2C P18825 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD2 P14416 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 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
SCHEMBL23220843 0.88 KMT2A (0.61) ADRB1SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL23220824 0.88 KMT2A (0.61) ADRB1SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL149502 0.88 KMT2A (0.61) ADRB1SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL25645045 0.86 ADRB1 (0.67) ADRB1SIGMAR1HTR3AHTR3EHTR3B
Ammonia Solution, Strong SCHEMBL28971896 0.86 KMT2A (0.59) ADRB1SIGMAR1HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL27862880 0.86 KMT2A (0.59) ADRB1SIGMAR1HTR3AHTR3EHTR3B
SCHEMBL17431870 0.86 ADRB1 (0.95) ADRB1SIGMAR1HTR3AHTR3EHTR3B
Phenylpiperazine SCHEMBL29135595 0.83 ADRB1 (1.00) ADRB1SIGMAR1HTR3AHTR3EHTR3B
Phenylpiperazine SCHEMBL55125 0.83 ADRB1 (1.00) ADRB1SIGMAR1HTR3AHTR3EHTR3B
Phenylpiperazine SCHEMBL24889 0.83 ADRB1 (1.00) ADRB1SIGMAR1HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804441-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 1997-11-05 EP disclosed
WO-1996022296-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-25 WO disclosed