SCHEMBL14587302

SCHEMBL14587302

c1ccc(C(c2ccccc2)c2nnc3n2CCCCCC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.55
POLB P06746 2/20 0.52
HSD11B1 P28845 4/20 0.50
HSD11B2 P80365 3/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL5636522 1.00 HPGD (0.55) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL14587255 0.86 HPGD (0.54) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL14587259 0.86 HPGD (0.54) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL4540030 0.85 HPGD (0.60) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL4536414 0.85 HPGD (0.53) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL4540695 0.82 HPGD (0.50) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL14587256 0.82 POLB (0.51) HPGDPOLBHSD11B1HSD11B2ALDH1A1
SCHEMBL14587260 0.82 POLB (0.51) HPGDPOLBHSD11B1HSD11B2ALDH1A1
SCHEMBL4528109 0.81 HPGD (0.49) HPGDPOLBHSD11B1HSD11B2MEN1
SCHEMBL4530030 0.80 HPGD (0.48) HPGDPOLBHSD11B1HSD11B2MEN1

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