SCHEMBL4352914

SCHEMBL4352914

Cn1c(-c2ccc(OC(F)(F)F)cc2)nnc1[C@]1(c2ccc(Cl)cc2)C[C@@H](F)C1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.77
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD11B2 P80365 1/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL4352915 1.00 HSD11B1 (0.77) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL4534774 0.89 HSD11B1 (0.92) HSD11B1HSD11B2NR1I2
SCHEMBL4532443 0.87 HSD11B1 (1.00) HSD11B1HSD11B2NR1I2
SCHEMBL12020550 0.82 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL827055 0.82 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL827054 0.82 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL4524293 0.79 HSD11B1 (0.74) HSD11B1HSD11B2NR1I2
SCHEMBL4535544 0.78 HSD11B1 (0.82) HSD11B1HSD11B2NR1I2
SCHEMBL4531723 0.75 HSD11B1 (0.73) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2
SCHEMBL12020514 0.75 HSD11B1 (0.73) HSD11B1CYP3A4CYP2D6CYP2C9HSD11B2

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
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-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