SCHEMBL7724551

SCHEMBL7724551

Cc1c(C(O)CNCCCCCCCCCCCCCCCCCCNCC(O)c2ccc(O)c(O)c2C)ccc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.48
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRB1 P08588 13/20 0.45
ADRB3 P13945 2/20 0.43

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
SCHEMBL11692156 0.85 ADRB1 (0.57) ADRB2ADRB1
SCHEMBL965291 0.85 ADRB1 (0.47) ADRB2ADRB1ADRB3
SCHEMBL4869389 0.81 ADRB2 (0.48) ADRB2ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL11692252 0.80 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL9767993 0.80 ADRA2A (0.68) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1461292 0.80 ADRA2A (0.68) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL30510977 0.79 ADRB2 (0.65) ADRB2ADRA2BADRA1AADRB1ADRB3
SCHEMBL29278698 0.79 ADRA2A (0.66) ADRB2ADRA2AADRA2BADRA2CADRA1A
Hydrochloric Acid SCHEMBL11670422 0.77 ADRB3 (0.43) ADRB2ADRB1ADRB3
SCHEMBL4866776 0.77 ADRB2 (0.53) ADRB2ADRA2AADRA2BADRA2CADRA1A

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-6362371-B1 DIAMINES DISUBSTITUED WITH HYDROXYMETHYL HYDROXYETHYLPHENOL GROUPS; RESPIRATORY SYSTEM DISORDERS, NERVOUS SYSTEM INJURIES, AND PREMATURE LABOR ADVANCED MEDICINE, INC. 2002-03-26 US disclosed