SCHEMBL5314540

SCHEMBL5314540

[CH2]CCOc1ccc(C#N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
AR P10275 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ICMT O60725 1/20 0.36
MRGPRX4 Q96LA9 5/20 0.35
SLC6A9 P48067 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL5317004 0.86 USP30 (0.40) HRH3USP30SLC22A12ARPTGDR2
SCHEMBL3119850 0.83 HRH3 (0.40) HRH3USP30SLC22A12ARPTGDR2
SCHEMBL9969445 0.83 SLC6A9 (0.47) HRH3USP30ARPTGDR2ICMT
SCHEMBL1619495 0.83 PTGDR2 (0.44) HRH3USP30ARPTGDR2ICMT
SCHEMBL12460722 0.83 HRH3 (0.43) HRH3USP30SLC22A12ARPTGDR2
SCHEMBL1714334 0.83 HRH3 (0.43) HRH3USP30SLC22A12ARPTGDR2
SCHEMBL3121798 0.82 HRH3 (0.42) HRH3USP30SLC22A12ARPTGDR2
SCHEMBL13184921 0.82 HRH3 (0.45) HRH3ARSLC6A9GPR119CYP11B1
SCHEMBL3125585 0.82 HRH3 (0.42) HRH3USP30SLC22A12ARPTGDR2
SCHEMBL15924404 0.80 ALDH1A1 (0.50) HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed