SCHEMBL3879514

SCHEMBL3879514

O=C1C(Sc2ccccc2)CCN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 4/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
SLC18A3 Q16572 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
CCR6 P51684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36

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
SCHEMBL2997600 0.72 PDPK1 (0.44) HSD11B1DDB1CRBNALDH1A1
SCHEMBL6218393 0.72 DDB1 (0.43) DDB1CRBNALDH1A1HSD17B10MAPT
SCHEMBL11066306 0.70 SLC18A3 (0.40) HSD11B1NPSR1ALDH1A1HSD17B10MCOLN3
SCHEMBL10857013 0.70 HDAC1 (0.43) DDB1CRBNALDH1A1L3MBTL1
SCHEMBL3887675 0.70 HSD11B1 (0.54) HSD11B1DDB1CRBNNPSR1ALDH1A1
SCHEMBL2986964 0.70 HSD11B1 (1.00) HSD11B1DDB1CRBNALDH1A1MCOLN3
SCHEMBL3878986 0.68 HSD11B1 (0.74) HSD11B1NPSR1ALDH1A1TP53HTT
SCHEMBL2946543 0.67 ALDH1A1 (0.54) DDB1CRBNALDH1A1HSD17B10SLC18A3
SCHEMBL809509 0.67 ALDH1A1 (0.54) DDB1CRBNALDH1A1HSD17B10SLC18A3
SCHEMBL13674416 0.67 HSD11B1 (0.60) HSD11B1ALDH1A1HSD17B10HTTSMN1; SMN2

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