SCHEMBL1685100

SCHEMBL1685100

CCN(C(=O)c1ccc(C(N)=O)cc1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
GPR119 Q8TDV5 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP2C9 P11712 1/20 0.44
PDK2 Q15119 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA2A P29274 2/20 0.42
PARP10 Q53GL7 2/20 0.42
F2 P00734 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL13434090 0.83 L3MBTL1 (0.51) HSD11B1OPRM1OPRD1
SCHEMBL10722280 0.83 HSD11B1 (0.70) HSD11B1ADORA2ABRD4
SCHEMBL13674323 0.79 HSD11B1 (0.69) HSD11B1
SCHEMBL13431647 0.79 HSD11B1 (0.69) HSD11B1
SCHEMBL4486060 0.79 HSD11B1 (0.61) HSD11B1OPRM1OPRD1ADORA2ABRD4
SCHEMBL1353088 0.78 LMNA (0.65) HSD11B1ADORA2ABRD4
SCHEMBL96038 0.76 HSD11B1 (0.62) HSD11B1ADORA2ABRD4
SCHEMBL4139952 0.75 L3MBTL1 (0.62) HSD11B1ADORA2A
SCHEMBL27537635 0.75 PARP10 (0.43) GPR119OPRM1OPRD1OPRK1CYP2C9
SCHEMBL3710538 0.75 HSD11B1 (0.51) HSD11B1ADORA2AF2BRD4

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-2306837-A1 PESTCIDAL ACTIVE MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS I BASF SE (DE) 2011-04-13 EP disclosed
WO-2010003923-A1 PESTCIDAL ACTIVE MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS I BASF SE (DE) 2010-01-14 WO disclosed