SCHEMBL8719954

SCHEMBL8719954

CCOC(=O)CC1CCN(C2=CC=C(c3ccc(C#N)cc3)C(=C=O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP14 P54578 5/20 0.42
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
KDM1A O60341 3/20 0.33
DPP4 P27487 1/20 0.32
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
PARP14 Q460N5 1/20 0.32

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
SCHEMBL8407571 0.91 SIGMAR1 (0.37) USP14HRH2HRH1HRH3SIGMAR1
SCHEMBL8410942 0.89 USP14 (0.43) USP14HRH2HRH1HRH3CYP11B1
SCHEMBL8717927 0.85 USP30 (0.36) HRH2HRH1HRH3SIGMAR1KDM1A
SCHEMBL8720195 0.80 KDM1A (0.36) USP14KDM1A
SCHEMBL7753345 0.78 USP14 (0.52) USP14SIGMAR1FFAR4DPP4
SCHEMBL8409444 0.77 POLB (0.38) HRH2HRH1HRH3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8714669 0.77 LTA4H (0.33) HRH3
SCHEMBL8719948 0.73 KDM1A (0.49) USP14HRH2HRH1HRH3SIGMAR1
SCHEMBL9416137 0.70 USP14 (0.48) USP14HRH2HRH1HRH3SIGMAR1
SCHEMBL29013541 0.69 FFAR4 (0.46) USP14FFAR4

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-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed