SCHEMBL5323766

SCHEMBL5323766

NC[C@H](O)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.46
ATM Q13315 1/20 0.38
DPP4 P27487 6/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5323770 1.00 DPP7 (0.46) DPP7ATMDPP4MMP1MMP2
SCHEMBL3067848 0.83 DPP7 (0.56) DPP7ATMDPP4MMP1MMP2
SCHEMBL3062191 0.81 CYP3A4 (0.42) MMP1MMP8ALDH1A1SMN1; SMN2TSHR
SCHEMBL3062187 0.81 CYP3A4 (0.42) MMP1MMP8ALDH1A1SMN1; SMN2TSHR
SCHEMBL3062227 0.81 CYP3A4 (0.42) MMP1MMP8ALDH1A1SMN1; SMN2TSHR
SCHEMBL3067845 0.78 DPP7 (0.43) DPP7ATMDPP4MMP1MMP2
SCHEMBL4618200 0.77 MMP1 (0.41) DPP7ATMDPP4MMP1MMP2
SCHEMBL29782266 0.77 RBP4 (0.43) DPP7ATMMMP1MMP2MMP8
SCHEMBL4616011 0.77 MMP1 (0.41) DPP7ATMDPP4MMP1MMP2
SCHEMBL16435188 0.77 DPP7 (0.46) DPP7DPP4

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
WO-2007081901-A2 PYRIMIDINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed
WO-2007081901-A2 PYRIMIDINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed