SCHEMBL9044008

SCHEMBL9044008

Nc1nccnc1C(=O)N1CCC(O)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
ATR Q13535 2/20 0.45
VNN1 O95497 1/20 0.42
ADORA2B P29275 8/20 0.40
NEK2 P51955 1/20 0.39
HPGD P15428 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ADORA2A P29274 2/20 0.38
HDAC4 P56524 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL22840303 0.80 APOBEC3A (0.55) DPP4NEK2HPGD
SCHEMBL9045289 0.77 KMT2A (0.54) DPP4ATRHPGDPIM1PIM3
SCHEMBL9044128 0.77 VNN1 (0.40) VNN1ADORA2BHPGDADORA2AHDAC4
SCHEMBL3723757 0.75 VNN1 (0.40) ATRVNN1ADORA2BHPGDADORA2A
SCHEMBL17661022 0.73 DPP4 (0.49) DPP4ADORA2BADORA2A
SCHEMBL15402120 0.72 PDE10A (0.45) DPP4ATRADORA2BADORA2A
SCHEMBL19144451 0.70 MGLL (0.55) ATRHDAC4
SCHEMBL2993890 0.70 MGLL (0.55) ATRHDAC4
SCHEMBL7381076 0.70 L3MBTL1 (0.66) VNN1
SCHEMBL29688509 0.70 L3MBTL1 (0.66) VNN1

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-0743944-A1 AZACYCLIC DERIVATIVES SmithKline Beecham Farmaceutici S.p.A. (IT) 1996-11-27 EP disclosed
WO-1995021843-A1 AZACYCLIC DERIVATIVES SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-08-17 WO disclosed