SCHEMBL13634229

SCHEMBL13634229

O=C(O)c1coc(N2CCC(Oc3ccc(=O)[nH]n3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.40
KCNH2 Q12809 2/20 0.39
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR6 P46095 1/20 0.34
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33
GSK3B P49841 1/20 0.32
GLS O94925 1/20 0.32
TP53 P04637 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
SCHEMBL2769952 0.86 ALDH1A1 (0.39) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL13634244 0.81 HRH3 (0.42) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL13162330 0.78 HRH3 (0.42) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL13163111 0.78 EPHX2 (0.47) HRH3GPR6RBP4TTR
SCHEMBL13634228 0.77 EPHX2 (0.45)
SCHEMBL13634227 0.76 DPP4 (0.44) KCNH2GPR6
SCHEMBL13163108 0.75 EPHX2 (0.42) KCNH2CYP2C19GPR6RBP4TTR
SCHEMBL3436269 0.75 HCRTR1 (0.35) ALDH1A1NPSR1RBP4TTRGSK3B
SCHEMBL13634347 0.72 KDM5A (0.44) HRH3TTR
SCHEMBL3436255 0.72 IRAK4 (0.41) CYP2C19NPSR1GSK3B

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed