SCHEMBL7076465

SCHEMBL7076465

CCOC(=O)CCc1ccc(C2CCN(OC(=O)O)CC2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4Z1 Q86W10 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL7080534 0.87 HRH3 (0.42) HRH3CYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL6042500 0.85 CYP4F2 (0.47) HRH3CYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL6955374 0.81 MEN1 (0.41) HRH3MEN1KMT2A
SCHEMBL6960338 0.80 MEN1 (0.43) MEN1KMT2A
SCHEMBL7084816 0.80 CA12 (0.46) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6953373 0.76 MEN1 (0.41) MEN1KMT2A
SCHEMBL6954026 0.76 SLC18A3 (0.51) HRH3MEN1KMT2ACHRM2CHRM4
SCHEMBL6959529 0.75 KMT2A (0.40) HRH3ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6952186 0.75 SLC6A3 (0.40) HRH3MEN1KMT2AATM
SCHEMBL7077994 0.75 SLC6A1 (0.41) MEN1KMT2ACHRM2CHRM4CHRM5

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed