Guanadrel

Guanadrel

SCHEMBL30302017

N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1.O=S(=O)(O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2

The experimentally established mechanism targets of Guanadrel. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.40
HTR1A P08908 3/20 0.40
ADRA1B P35368 2/20 0.40
ADRA1A P35348 1/20 0.39
PABPC1 P11940 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
GAA P10253 1/20 0.39
CA2 P00918 2/20 0.38
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
RIN1 Q13671 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALOX15 P16050 1/20 0.31

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
Guanadrel SCHEMBL41051 1.00 ADRA1D (0.40) ADRA1DHTR1AADRA1BADRA1APABPC1
Guanadrel SCHEMBL1172913 0.93 HTR1A (0.44) ADRA1DHTR1AADRA1BADRA1APABPC1
Guanadrel SCHEMBL180963 0.93 HTR1A (0.44) ADRA1DHTR1AADRA1BADRA1APABPC1
Guanadrel SCHEMBL23858338 0.92 HTR1A (0.43) ADRA1DHTR1AADRA1BADRA1APABPC1
Guanadrel SCHEMBL1649864 0.75 PABPC1 (0.40) ADRA1DHTR1AADRA1BADRA1APABPC1
Guanadrel SCHEMBL23858296 0.75 PABPC1 (0.40) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL20624944 0.68 PABPC1 (0.51) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL21987642 0.68 PABPC1 (0.47) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL8192982 0.67 PABPC1 (0.53) ADRA1DHTR1AADRA1BADRA1APABPC1
SCHEMBL1487109 0.67 PABPC1 (0.53) ADRA1DHTR1AADRA1BADRA1APABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218874-A1 SWAB DELIVERY SYSTEM ANERGENT PHARMACEUTICALS, INC. (US) 2023-07-13 US disclosed
US-11623075-B2 Buccal swab delivery system ANERGENT PHARMACEUTICALS, INC. (US) 2023-04-11 US disclosed
US-11607392-B2 Encapsulation system for prolonged release of active agents TREND INNOVATIONS (CA) 2023-03-21 US disclosed