SCHEMBL4538415

SCHEMBL4538415

Clc1ccc(C2(c3nnc(C4CC4)n3C3CC3)CCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.75
NR1I2 O75469 5/20 0.49
CYP2C19 P33261 1/20 0.47
HSD11B2 P80365 1/20 0.47

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
SCHEMBL2667471 0.95 HSD11B1 (0.79) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL4360892 0.87 HSD11B1 (0.60) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL5638283 0.86 HSD11B1 (0.56) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL26657975 0.85 HSD11B1 (1.00) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL827105 0.85 HSD11B1 (1.00) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL827104 0.85 HSD11B1 (1.00) HSD11B1NR1I2CYP2C19HSD11B2
Water SCHEMBL1003615 0.84 HSD11B1 (0.98) HSD11B1NR1I2CYP2C19HSD11B2
Water SCHEMBL1003616 0.84 HSD11B1 (0.98) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL13902626 0.83 HSD11B1 (0.56) HSD11B1NR1I2CYP2C19HSD11B2
SCHEMBL5637935 0.82 HSD11B1 (0.55) HSD11B1NR1I2HSD11B2

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
WO-2009073460-A2 INHIBITION OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 FOR OCULAR NEUROPROTECTION BAUSCH & LOMB INCORPORATED (US) 2009-06-11 WO 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