SCHEMBL4536746

SCHEMBL4536746

CCC(C)(c1ccccc1)c1nnc2n1CCCCCC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HPGD P15428 7/20 0.49
HSD11B1 P28845 4/20 0.45
HSD11B2 P80365 3/20 0.44
LMNA P02545 2/20 0.43
CYP2B6 P20813 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SHMT2 P34897 1/20 0.42

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
SCHEMBL4536685 0.85 POLB (0.51) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4538193 0.84 HPGD (0.55) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4539384 0.83 HPGD (0.54) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4540694 0.80 HPGD (0.57) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4565250 0.80 POLB (0.46) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4530372 0.79 POLB (0.48) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4539612 0.76 POLB (0.48) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL14030255 0.74 POLB (0.58) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL14030375 0.74 POLB (0.58) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL12020354 0.73 HPGD (0.47) POLBHPGDHSD11B1HSD11B2HTT

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
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