SCHEMBL16102147

SCHEMBL16102147

CCCCOC(=O)N1CCC(C(=O)OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRM1 P11229 2/20 0.46
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3664936 0.91 LMNA (0.58) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL12615399 0.88 MAPT (0.59) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL27997797 0.86 GAA (0.59) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL1720711 0.85 GAA (0.73) GAASMN1; SMN2POLBCHRM1ALDH1A1
SCHEMBL27682598 0.84 SMN1; SMN2 (0.50) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL355693 0.84 SMN1; SMN2 (0.58) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL7096747 0.84 SMN1; SMN2 (0.58) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL5823241 0.83 GAA (0.73) GAASMN1; SMN2POLBLMNANPC1
SCHEMBL7449135 0.82 POLB (0.63) GAASMN1; SMN2POLBLMNACHRM1
SCHEMBL7041340 0.81 LMNA (0.58) GAASMN1; SMN2POLBLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212619-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2017-09-06 EP disclosed
WO-2016069427-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
EP-2968288-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-01-20 EP disclosed
WO-2014150132-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed