SCHEMBL9752685

SCHEMBL9752685

CCCC(O)C1=NCCO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
ADRA1A P35348 1/20 0.30

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
SCHEMBL4278051 0.91 ADRA2A (0.31) ADRA2AADRA2BADRA2C
SCHEMBL377055 0.80 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9752677 0.77 ADRA2A (0.35) ADRA2AADRA2BADRA2C
SCHEMBL30670320 0.77 ADRA2A (0.32) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1079623 0.73
SCHEMBL5696742 0.72
SCHEMBL23466953 0.72 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL29040370 0.72 ADRA2A (0.34) ADRA2AADRA2BADRA2C
SCHEMBL377286 0.71 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL24171957 0.70

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
WO-1991009898-A1 PROCESS FOR PREPARING NEW POLYMERS CONTAINING CARBOXYL GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-07-11 WO disclosed