SCHEMBL4410933

SCHEMBL4410933

O=C(NC1C2CC3CC(C2)CC1C3)c1occ2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
EPHX2 P34913 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC1 Q13547 8/20 0.45
HDAC6 Q9UBN7 8/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4410964 0.85 HSD11B1 (0.53)
Hydrochloric Acid SCHEMBL9343553 0.73 HTR4 (0.48) HDAC6
SCHEMBL14067993 0.72 CNR2 (0.52) FAAHEPHX2KMT2AMEN1HDAC1
SCHEMBL1675682 0.71 KMT2A (0.74) FAAHEPHX2KMT2AMEN1CNR1
SCHEMBL9727202 0.71 KCNH2 (0.47) KMT2A
SCHEMBL4401472 0.70 RAB9A (0.61) FAAHKMT2AMEN1
SCHEMBL3383913 0.69 KDM4E (0.35) KMT2AMEN1L3MBTL1
SCHEMBL1675968 0.69 KMT2A (0.57) FAAHEPHX2KMT2AMEN1CNR1
SCHEMBL16292878 0.69 KDM4E (0.38) KMT2AMEN1L3MBTL1
SCHEMBL19798433 0.69 EPHX2 (0.67) EPHX2KMT2A

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 claimed