Prenylamine

Prenylamine

SCHEMBL5053804

CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CALM1SCN5A

The experimentally established mechanism targets of Prenylamine. 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
SCN5A known ✓ Q14524 1/20 1.00
HTR1A P08908 2/20 1.00
ADORA3 P0DMS8 2/20 1.00
SLC6A2 P23975 2/20 1.00
SLC6A4 P31645 2/20 1.00
ADRA1A P35348 2/20 1.00
OPRM1 P35372 2/20 1.00
DRD3 P35462 2/20 1.00
SLC6A3 Q01959 2/20 1.00
KCNH2 Q12809 2/20 1.00
ADRB2 P07550 1/20 1.00
ADRB1 P08588 1/20 1.00
DRD2 P14416 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
CNR1 P21554 1/20 1.00
HTR2A P28223 1/20 1.00
MC4R P32245 1/20 1.00
HRH1 P35367 1/20 1.00
SCN1A P35498 1/20 1.00

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
Prenylamine SCHEMBL182253 1.00 HTR1A (1.00) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Prenylamine SCHEMBL77916 1.00 HTR1A (1.00) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Prenylamine SCHEMBL5525021 0.98 HTR1A (0.97) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Prenylamine SCHEMBL29389965 0.98 HTR1A (0.97) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Prenylamine SCHEMBL10614915 0.89 CYP1A2 (1.00) HTR1AADORA3SLC6A2SLC6A4ADRA1A
SCHEMBL11206312 0.89 ADRB2 (0.79) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Prenylamine SCHEMBL10616084 0.88 HTR1A (0.78) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL11207869 0.88 ADRB2 (0.77) HTR1AADORA3SLC6A2SLC6A4ADRA1A
Bromide SCHEMBL11610736 0.88 ADRB2 (0.77) HTR1AADORA3SLC6A2SLC6A4ADRA1A
SCHEMBL11212570 0.86 KMT2A (1.00) HTR1AADORA3SLC6A2SLC6A4ADRA1A

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-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO disclosed