SCHEMBL3887675

SCHEMBL3887675

O=C1C(Oc2ccccc2)CCN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
ROCK2 O75116 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MCHR1 Q99705 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
EPHX2 P34913 1/20 0.39
CCR5 P51681 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3922820 0.70 SLC18A3 (0.40) HSD11B1NPSR1ALDH1A1KDM4EMCOLN3
Diphenylether SCHEMBL2024590 0.70 LTA4H (0.46) HSD11B1CCR5
SCHEMBL3879514 0.70 HSD11B1 (0.54) HSD11B1DDB1CRBNNPSR1ALDH1A1
SCHEMBL2986964 0.70 HSD11B1 (1.00) HSD11B1ROCK2DDB1CRBNALDH1A1
SCHEMBL15677633 0.69 MCHR1 (0.43) ROCK2HDAC8HDAC6DDB1CRBN
SCHEMBL13108447 0.69 MEN1 (0.61) HSD11B1NPSR1ALDH1A1SMN1; SMN2OPRK1
SCHEMBL15973833 0.68 HSD11B1 (0.48) HSD11B1NPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7606593 0.68 HDAC8 (0.67) ROCK2HDAC8HDAC6DDB1CRBN
SCHEMBL3878986 0.68 HSD11B1 (0.74) HSD11B1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL893008 0.67 POLB (0.49) HSD11B1NPSR1ALDH1A1SMN1; SMN2POLB

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-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed