SCHEMBL8442887

SCHEMBL8442887

NCCCCCCNCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.63
ADRB1 P08588 8/20 0.54
MAPT P10636 7/20 0.54
TDP1 Q9NUW8 6/20 0.54
KDM4E B2RXH2 5/20 0.54
DRD2 P14416 5/20 0.54
ADRB3 P13945 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
BLM P54132 4/20 0.54
MAPK1 P28482 4/20 0.54
DRD1 P21728 4/20 0.54
APEX1 P27695 3/20 0.54
RECQL P46063 3/20 0.54
HPGD P15428 3/20 0.54
ADORA3 P0DMS8 3/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
CYP3A4 P08684 3/20 0.54

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
Hexoprenaline SCHEMBL32668781 0.92 ADRB2 (0.72) ADRB2ADRB1MAPTTDP1KDM4E
Hexoprenaline SCHEMBL121449 0.92 ADRB2 (0.72) ADRB2ADRB1MAPTTDP1KDM4E
Hexoprenaline SCHEMBL3500862 0.91 ADRB2 (0.70) ADRB2ADRB1MAPTTDP1KDM4E
Hexoprenaline SCHEMBL1604446 0.91 ADRB2 (0.70) ADRB2ADRB1MAPTTDP1KDM4E
Hexoprenaline SCHEMBL598186 0.87 ADRB2 (0.65) ADRB2ADRB1MAPTTDP1KDM4E
SCHEMBL2054491 0.86 ADRB2 (0.87) ADRB2ADRB1KDM4EDRD2ADRB3
SCHEMBL9768158 0.85 ADRB2 (0.63) ADRB2ADRB1MAPTTDP1KDM4E
SCHEMBL9768151 0.85 ADRB2 (0.63) ADRB2ADRB1MAPTTDP1KDM4E
SCHEMBL31530706 0.84 ADRB2 (0.68) ADRB2ADRB1MAPTTDP1KDM4E
SCHEMBL31530707 0.84 ADRB2 (0.68) ADRB2ADRB1MAPTTDP1KDM4E

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
US-5871771-A SOLUBILIZING WITH POLYLACTIDE, SOLVENT REMOVAL, JET GRINDING; TIME-RELEASE AGENTS; INHALANTS FOR ASTHMA BOEHRINGER INGELHEIM KG (DE) 1999-02-16 US disclosed