SCHEMBL1859336

SCHEMBL1859336

COc1ccc(Oc2nc(C#N)ncc2NC[C@@H]2CCCN2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
FFAR1 O14842 1/20 0.40
CSF1R P07333 5/20 0.39
DAPK1 P53355 5/20 0.39
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
FAP Q12884 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CCR6 P51684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BTK Q06187 1/20 0.37
PREP P48147 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL1859333 1.00 DPP4 (0.41) DPP4CTSSCTSLCTSKFFAR1
SCHEMBL1883133 0.89 PRMT5 (0.42) DPP4CTSSCTSLCTSK
SCHEMBL1883135 0.89 PRMT5 (0.42) DPP4CTSSCTSLCTSK
SCHEMBL1863771 0.83 FFAR1 (0.39) FFAR1CSF1RDAPK1HRH3CYP2C9
SCHEMBL1863779 0.83 FFAR1 (0.39) FFAR1CSF1RDAPK1HRH3CYP2C9
SCHEMBL1808468 0.80 PRMT5 (0.46)
SCHEMBL1808466 0.80 PRMT5 (0.46)
SCHEMBL1879447 0.79 CSF1R (0.38) FFAR1CSF1RDAPK1HRH3KCNH2
SCHEMBL1805031 0.77 PRMT5 (0.44)
SCHEMBL1808726 0.77 PRMT5 (0.44)

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-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed