Propionaldehyde

Propionaldehyde

SCHEMBL27851997

CCC=O.O=C(CC1CNCCO1)N1CCSCC1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.34
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 1/20 0.32
REN P00797 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL27851944 0.92 CFD (0.33) CFDADRB2HTR1ASLC6A2HTR2A
SCHEMBL27851996 0.90 CFD (0.33) CFDADRB2HTR1ASLC6A2HTR2A
SCHEMBL2444480 0.80 ALDH1A1 (0.43) CFDSLC6A2SLC6A4SLC6A3REN
SCHEMBL27851930 0.75 SYK (0.35) CFDSLC6A2SLC6A4SLC6A3REN
SCHEMBL29260070 0.70 TPSAB1 (0.37) CFDADRB2HTR1ASLC6A2HTR2A
SCHEMBL29260071 0.70 TPSAB1 (0.37) CFDADRB2HTR1ASLC6A2HTR2A
SCHEMBL15571986 0.68 SLC6A2 (0.39) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL2921129 0.68 SLC6A2 (0.43) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL30275082 0.68 SLC6A2 (0.43) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL1655323 0.68 ADRA2C (0.42) ADRB2HTR1ASLC6A2HTR2ASLC6A4

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-102453001-A Thiomorpholine compound and preparation method and application thereof INST MATERIA MEDICA CAMS 2012-05-16 CN disclosed