SCHEMBL6567266

SCHEMBL6567266

O=C(Nc1ccc(O)c(CN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.61
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL4931115 0.76 EPHX2 (1.00) EPHX2MEN1NPC1LMNATP53
SCHEMBL12932214 0.75 EPHX2 (0.90) EPHX2
SCHEMBL12932434 0.75 EPHX2 (1.00) EPHX2MAPTHTT
SCHEMBL12932148 0.74 EPHX2 (1.00) EPHX2
SCHEMBL4927703 0.74 EPHX2 (0.77) EPHX2MAPT
SCHEMBL4266417 0.74 EPHX2 (1.00) EPHX2
SCHEMBL6566823 0.74 CNR2 (0.52) EPHX2MEN1NPC1LMNATP53
SCHEMBL4356291 0.74 EPHX2 (0.72) EPHX2MEN1NPC1LMNATP53
SCHEMBL4346744 0.74 EPHX2 (1.00) EPHX2MEN1NPC1LMNATP53
SCHEMBL4257580 0.73 EPHX2 (1.00) EPHX2

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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed