SCHEMBL5568988

SCHEMBL5568988

CC(C)(C)OC(=O)N1CCC[C@]1(CC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL17270494 1.00 KDM4E (0.41) KDM4EPKMGRIN2BGRIN2CMEN1
SCHEMBL17270495 1.00 KDM4E (0.41) KDM4EPKMGRIN2BGRIN2CMEN1
SCHEMBL15848401 0.91 KMT2A (0.39) GRIN2BGRIN2CMEN1KMT2AGPR119
SCHEMBL17270449 0.91 KMT2A (0.39) GRIN2BGRIN2CMEN1KMT2AGPR119
SCHEMBL17270481 0.90 GPR119 (0.36) GRIN2BGRIN2CMEN1KMT2ATSHR
SCHEMBL15848546 0.90 MEN1 (0.40) GRIN2BGRIN2CMEN1KMT2A
SCHEMBL17270510 0.90 KMT2A (0.47) GRIN2BGRIN2CMEN1KMT2ATSHR
SCHEMBL15848435 0.90 GPR119 (0.36) GRIN2BGRIN2CMEN1KMT2ATSHR
SCHEMBL15848631 0.90 MEN1 (0.40) GRIN2BGRIN2CMEN1KMT2A
SCHEMBL15848280 0.90 KMT2A (0.47) GRIN2BGRIN2CMEN1KMT2ATSHR

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
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed