SCHEMBL3995044

SCHEMBL3995044

N#CC1CC(OC(=O)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.58
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 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
SCHEMBL10216249 0.80 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL21526050 0.79 POLB (0.62) MEN1KMT2ATSHR
SCHEMBL21526052 0.79 POLB (0.62) MEN1KMT2ATSHR
SCHEMBL31196944 0.79 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4152261 0.79 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL29893635 0.77 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL31000129 0.77 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL1786140 0.76 MEN1 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4453290 0.76 MEN1 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL25219286 0.76 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711477-A4 NOVEL CRYSTALLINE FORMS OF AN INHIBITOR OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 MERCK & CO INC (US) 2009-06-10 EP disclosed
EP-1711477-A1 NOVEL CRYSTALLINE FORMS OF AN INHIBITOR OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Merck & Co., Inc. (US) 2006-10-18 EP disclosed
WO-2005073200-A1 NOVEL CRYSTALLINE FORMS OF AN INHIBITOR OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 MERCK & CO., INC. (US) 2005-08-11 WO disclosed