SCHEMBL14587258

SCHEMBL14587258

CC(C)Cc1ccc([C@H](C)c2nnc3n2CCCCCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HPGD P15428 5/20 0.43
ALOX5AP P20292 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4537551 1.00 POLB (0.44) POLBHPGDALOX5APALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5639024 0.90 ALOX5AP (0.41) POLBHPGDALOX5APALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5639310 0.90 ALOX5AP (0.41) POLBHPGDALOX5APALDH1A1KDM4E
SCHEMBL14587255 0.83 HPGD (0.54) POLBHPGDALDH1A1HTTLMNA
SCHEMBL14587259 0.83 HPGD (0.54) POLBHPGDALDH1A1HTTLMNA
Trifluoroacetic Acid SCHEMBL5637557 0.76 HPGD (0.47) POLBHPGDALDH1A1HTTLMNA
Trifluoroacetic Acid SCHEMBL5639104 0.76 HPGD (0.47) POLBHPGDALDH1A1HTTLMNA
SCHEMBL11914610 0.74 POLB (0.58) POLBHPGDALDH1A1KDM4EHTT
SCHEMBL22484889 0.74 POLB (0.58) POLBHPGDALDH1A1KDM4EHTT
SCHEMBL22485313 0.74 POLB (0.58) POLBHPGDALDH1A1KDM4EHTT

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