SCHEMBL4534788

SCHEMBL4534788

CC(C)(c1ccc(Cl)cc1)c1nnc2n1CCCCCC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
HTT P42858 2/20 0.57
HSD11B1 P28845 5/20 0.50
HSD11B2 P80365 2/20 0.49
NR1I2 O75469 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 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
SCHEMBL4539384 0.87 HPGD (0.54) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL4530537 0.82 HPGD (0.41) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL12020354 0.80 HPGD (0.47) HPGDHTTHSD11B1HSD11B2NR1I2
SCHEMBL4538193 0.77 HPGD (0.55) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL4540367 0.76 HSD11B1 (0.50) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL14030255 0.75 POLB (0.58) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL14030375 0.75 POLB (0.58) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL14030286 0.73 POLB (0.55) HPGDHTTHSD11B1HSD11B2POLB
SCHEMBL2858672 0.73 HPGD (1.00) HPGDHTTHSD11B1HSD11B2NR1I2
SCHEMBL4540694 0.72 HPGD (0.57) HPGDHTTHSD11B1HSD11B2POLB

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