SCHEMBL14587256

SCHEMBL14587256

CC[C@@H](c1ccccc1)c1nnc2n1CCCCCC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HPGD P15428 7/20 0.50
HSD11B1 P28845 4/20 0.46
HSD11B2 P80365 3/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SHMT2 P34897 1/20 0.43
TP53 P04637 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
SCHEMBL14587260 1.00 POLB (0.51) POLBHPGDHSD11B1HSD11B2LMNA
Trifluoroacetic Acid SCHEMBL5639539 0.89 HPGD (0.44) POLBHPGDHSD11B1HSD11B2LMNA
Trifluoroacetic Acid SCHEMBL5639463 0.89 HPGD (0.44) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4520708 0.84 POLB (0.47) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL14587255 0.84 HPGD (0.54) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL14587259 0.84 HPGD (0.54) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL5636522 0.82 HPGD (0.55) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL14587302 0.82 HPGD (0.55) POLBHPGDHSD11B1HSD11B2ALDH1A1
SCHEMBL4540695 0.81 HPGD (0.50) POLBHPGDHSD11B1HSD11B2LMNA
SCHEMBL4536414 0.80 HPGD (0.53) POLBHPGDHSD11B1HSD11B2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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