SCHEMBL6026865

SCHEMBL6026865

CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2Cl)c[nH]c1CCCN

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 2/20 0.41
CHEK1 O14757 1/20 0.39
DPP4 P27487 7/20 0.37
DPP8 Q6V1X1 5/20 0.35
ALPL P05186 4/20 0.34
IDO1 P14902 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6265338 0.77 GSK3B (0.48) CNR1CNR2DPP4ALPLMAPT
SCHEMBL1219591 0.72 CNR1 (0.43) CNR1CNR2DPP4DPP8IDO1
SCHEMBL1219180 0.71 CNR1 (0.48) CNR1CNR2ALPLIDO1SLC6A3
SCHEMBL10073234 0.65 KMT2A (0.49) CNR1CNR2IDO1MAPT
SCHEMBL7858859 0.64 ALDH1A1 (0.53) CNR1CNR2MAPT
SCHEMBL3843873 0.64 NR1H4 (0.54) CNR1CNR2KDM4EMAPT
SCHEMBL24088778 0.62 ALDH1A1 (0.48) CNR1CNR2ALPLIDO1KDM4E
SCHEMBL31668899 0.62 ALDH1A1 (0.48) CNR1CNR2ALPLIDO1KDM4E
SCHEMBL415970 0.62 ABL1 (0.50) CNR1CNR2KDM4EMAPT
SCHEMBL27634892 0.61 PRKCZ (0.39) CNR1CNR2DPP4DPP8KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618127-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 EP disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO disclosed