SCHEMBL1879447

SCHEMBL1879447

COc1ccc(Oc2nc(-c3noc(=O)[nH]3)ncc2NCC2CCCN2C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.38
DAPK1 P53355 5/20 0.38
KCNH2 Q12809 1/20 0.37
FFAR1 O14842 1/20 0.35
CPT1A P50416 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
PRMT5 O14744 1/20 0.33
DGAT1 O75907 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL1880852 0.90 PRMT5 (0.43) CSF1RDAPK1KCNH2KDM4EPRMT5
SCHEMBL1880851 0.90 PRMT5 (0.43) CSF1RDAPK1KCNH2KDM4EPRMT5
SCHEMBL1866415 0.81 CYP1A2 (0.37) CSF1RDAPK1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL1859333 0.79 DPP4 (0.41) CSF1RDAPK1KCNH2FFAR1HRH3
SCHEMBL1859336 0.79 DPP4 (0.41) CSF1RDAPK1KCNH2FFAR1HRH3
SCHEMBL1863771 0.77 FFAR1 (0.39) CSF1RDAPK1KCNH2FFAR1HRH3
SCHEMBL1863779 0.77 FFAR1 (0.39) CSF1RDAPK1KCNH2FFAR1HRH3
SCHEMBL12653244 0.75 PRMT5 (0.48) CPT1AALDH1A1KDM4EMAPTPRMT5
SCHEMBL1804086 0.72 PRMT5 (0.42) CSF1RDAPK1ALDH1A1KDM4EPRMT5
SCHEMBL1298242 0.72 PRMT5 (0.44) PRMT5SCDSCD5

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