SCHEMBL4396722

SCHEMBL4396722

O=C(NC1C2CC3CC(C2)CC1C3)c1ccoc1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
FAAH O00519 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 6/20 0.44
MEN1 O00255 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
HSD11B1 P28845 3/20 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
SCHEMBL1675682 0.79 KMT2A (0.74) KMT2AFAAHL3MBTL1EPHX2MEN1
SCHEMBL1669171 0.74 ALDH1A1 (0.50) KMT2AL3MBTL1MEN1
SCHEMBL1675968 0.73 KMT2A (0.57) KMT2AFAAHL3MBTL1EPHX2MEN1
SCHEMBL8594052 0.72 AKR1C3 (0.53) KMT2AL3MBTL1
SCHEMBL19375483 0.70 KMT2A (0.56) KMT2AFAAHEPHX2HSD11B1
SCHEMBL13634586 0.69 NPC1 (0.56) KMT2AFAAHEPHX2MEN1CNR2
SCHEMBL4410933 0.68 FAAH (0.46) KMT2AFAAHL3MBTL1EPHX2MEN1
Benzophenone SCHEMBL29110866 0.68 ALDH1A1 (0.70) KMT2AFAAHL3MBTL1EPHX2MEN1
SCHEMBL15051964 0.67 KMT2A (0.65) KMT2AFAAHEPHX2HSD11B1
SCHEMBL580738 0.66 AKR1C3 (0.53) KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796657-B1 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-12-23 EP disclosed