SCHEMBL5254403

SCHEMBL5254403

CC(=O)OC1CCN(c2ncc(NC(=O)C(=O)NN)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.41
DHODH Q02127 2/20 0.38
ACACB O00763 3/20 0.37
MALT1 Q9UDY8 5/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3539277 0.85 KDM4E (0.45) OPRK1MALT1MAPTKDM4EMEN1
SCHEMBL13009733 0.82 ENPP1 (0.40) OPRK1DHODHMALT1PRMT5WDR77
SCHEMBL3545445 0.82 DHODH (0.39) OPRK1DHODHPRMT5WDR77KDM4E
SCHEMBL3550802 0.81 ACACB (0.39) OPRK1DHODHACACBPRMT5MAPT
SCHEMBL5252865 0.80 OPRK1 (0.46) OPRK1DHODHACACBMAPTCYP2C9
SCHEMBL5252144 0.74 OPRK1 (0.49) OPRK1ACACBMAPTCYP2C9CYP2C19
SCHEMBL3549423 0.73 KDM4E (0.46) OPRK1DHODHMALT1MAPTKDM4E
SCHEMBL3540587 0.71 ENPP1 (0.41) OPRK1DHODHMALT1PRMT5WDR77
SCHEMBL13009740 0.71 ENPP1 (0.41) OPRK1DHODHMALT1PRMT5WDR77
SCHEMBL27708996 0.71 TRPV1 (0.42) MAPTCYP2C9CYP2C19KDM4EGAA

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-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed