SCHEMBL5262280

SCHEMBL5262280

CC(C)(C)OC(=O)NC1CCC(Cn2nccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
BTK Q06187 1/20 0.46
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
JAK1 P23458 3/20 0.41
JAK2 O60674 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DRD3 P35462 1/20 0.41
CTSK P43235 2/20 0.40
KAT8 Q9H7Z6 1/20 0.40

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
SCHEMBL3900553 1.00 DRD2 (0.49) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3901028 0.83 DRD2 (0.48) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3904876 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3898117 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3897829 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3911519 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL1154909 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3900707 0.79 DRD2 (0.54) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3910610 0.78 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3899426 0.78 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A

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-1799639-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION Glenmark Pharmaceuticals S.A. (CH) 2007-06-27 EP disclosed
WO-2006040625-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO disclosed