SCHEMBL4520708

SCHEMBL4520708

CCC(C)C(c1ccccc1)c1nnc2n1CCCCCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HPGD P15428 7/20 0.46
LMNA P02545 2/20 0.42
SHMT2 P34897 1/20 0.42
HSD11B1 P28845 4/20 0.42
HSD11B2 P80365 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL5639221 0.90 HPGD (0.41) POLBHPGDLMNASHMT2ALDH1A1
SCHEMBL4540695 0.87 HPGD (0.50) POLBHPGDLMNAHSD11B1HSD11B2
SCHEMBL14587256 0.84 POLB (0.51) POLBHPGDLMNASHMT2HSD11B1
SCHEMBL14587260 0.84 POLB (0.51) POLBHPGDLMNASHMT2HSD11B1
SCHEMBL14587255 0.83 HPGD (0.54) POLBHPGDLMNAHSD11B1HSD11B2
SCHEMBL14587259 0.83 HPGD (0.54) POLBHPGDLMNAHSD11B1HSD11B2
SCHEMBL5636522 0.78 HPGD (0.55) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL14587302 0.78 HPGD (0.55) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL4536414 0.76 HPGD (0.53) POLBHPGDHSD11B1HSD11B2ALDH1A1
Trifluoroacetic Acid SCHEMBL5639463 0.75 HPGD (0.44) POLBHPGDLMNAHSD11B1HSD11B2

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 3 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