SCHEMBL5637560

SCHEMBL5637560

CC1(c2nnc(C3(c4ccc(F)cc4)CC3)n2C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.43
HSD11B2 P80365 1/20 0.43
MAPK14 Q16539 3/20 0.34
NR1I2 O75469 3/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4530292 0.95 HSD11B1 (0.50) HSD11B1HSD11B2NR1I2
SCHEMBL4535030 0.86 HSD11B1 (0.53) HSD11B1HSD11B2NR1I2CYP2C19
SCHEMBL5637935 0.81 HSD11B1 (0.55) HSD11B1HSD11B2NR1I2
SCHEMBL4528572 0.81 HSD11B1 (0.63) HSD11B1HSD11B2MAPK14NR1I2CYP2C19
SCHEMBL826913 0.78 HSD11B1 (0.69) HSD11B1HSD11B2NR1I2CYP2C19CYP3A4
SCHEMBL826912 0.78 HSD11B1 (0.69) HSD11B1HSD11B2NR1I2CYP2C19CYP3A4
SCHEMBL4360892 0.76 HSD11B1 (0.60) HSD11B1HSD11B2NR1I2CYP2C19
SCHEMBL16868571 0.72 HSD11B1 (0.83) HSD11B1HSD11B2NR1I2CYP2C19CYP3A4
SCHEMBL12020391 0.72 HSD11B1 (0.47) HSD11B1HSD11B2MAPK14NR1I2
SCHEMBL1108885 0.69 HSD11B1 (0.48) HSD11B1HSD11B2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
EP-1532122-B1 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME (US) 2011-12-14 EP disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-6730690-B2 DELAYING THE ONSET OR REDUCING THE RISK OF DEVELOPING ATHEROSCLEROSIS IN A HUMAN PATIENT COMPRISING ADMINISTERING TO SAID PATIENT AN EFFECTIVE AMOUNT OF A COMPOUND OF INVENTION AND AN HMG-COA REDUCTASE INHIBITOR MERCK & CO., INC. 2004-05-04 US disclosed