SCHEMBL8747862

SCHEMBL8747862

Cc1cccc(C2(C#N)CCC3(CC2)C(=O)CCC3=O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
OPRM1 P35372 2/20 0.38
HDAC4 P56524 1/20 0.37
IL4I1 Q96RQ9 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD11B1 P28845 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
BACE1 P56817 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL1986488 0.86 KMT2A (0.49) KMT2AOPRM1HDAC4
SCHEMBL4554005 0.84 PDE4A (0.47) KMT2AOPRM1HDAC4LMNANPSR1
SCHEMBL15866986 0.80 KMT2A (0.47) KMT2AOPRM1HDAC4HSD11B1
SCHEMBL624786 0.80 KMT2A (0.47) KMT2AOPRM1HDAC4HSD11B1
SCHEMBL16691395 0.79 KMT2A (0.46) KMT2AOPRM1HDAC4HSD11B1
SCHEMBL8179858 0.77 HDAC4 (0.40) KMT2AOPRM1HDAC4LMNANPSR1
SCHEMBL13439854 0.76 PIK3CD (0.45) KMT2AOPRM1HDAC4PIK3CD
SCHEMBL9248206 0.75 KMT2A (0.41) KMT2AOPRM1HDAC4LMNAPIK3CD
SCHEMBL16591357 0.75 KMT2A (0.68) KMT2AOPRM1
SCHEMBL11738868 0.74 KMT2A (0.42) KMT2AOPRM1HDAC4HCAR2PDE4A

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-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP disclosed