SCHEMBL4531723

SCHEMBL4531723

Cn1c(-c2ccccc2Cl)nnc1C1(c2ccc(Cl)cc2)CC(F)C1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.73
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
NR1I2 O75469 6/20 0.55
HSD11B2 P80365 1/20 0.53

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
SCHEMBL12020514 1.00 HSD11B1 (0.73) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL4531721 1.00 HSD11B1 (0.73) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL4541981 0.84 HSD11B1 (1.00) HSD11B1NR1I2HSD11B2
SCHEMBL827054 0.84 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL827055 0.84 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL12020550 0.84 HSD11B1 (0.78) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL12020404 0.84 HSD11B1 (0.56) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2
SCHEMBL1108816 0.80 HSD11B1 (0.74) HSD11B1NR1I2HSD11B2
SCHEMBL1108789 0.79 HSD11B1 (0.77) HSD11B1NR1I2HSD11B2
SCHEMBL19248156 0.77 HSD11B1 (1.00) HSD11B1CYP3A4CYP2D6CYP2C9NR1I2

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-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-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