SCHEMBL13634244

SCHEMBL13634244

CCc1coc(N2CCC(Oc3ccc(=O)[nH]n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
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
NAAA Q02083 2/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
LMNA P02545 1/20 0.33
CHRM4 P08173 1/20 0.33
SCD O00767 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 0.82 ALDH1A1 (0.39) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL13634229 0.81 HRH3 (0.40) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL13162330 0.81 HRH3 (0.42) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL13634245 0.77 PDE3B (0.41) HRH3SCD
SCHEMBL13634319 0.76 NAAA (0.48) NAAA
SCHEMBL13634327 0.75 DPP4 (0.41) HRH3AXLMERTK
SCHEMBL13634246 0.74 OGA (0.36) CYP2C19SCD
SCHEMBL13162854 0.74 HRH3 (0.54) HRH3KCNH2GAACYP2C19ALDH1A1
SCHEMBL25113414 0.72 HRH3 (0.50) HRH3KCNH2ALDH1A1TIPARP
SCHEMBL13634240 0.72 HRH4 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed