SCHEMBL4755819

SCHEMBL4755819

O=C1C(Cc2sc3ccccc3c2Cl)CCCN1[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PER2 O15055 2/20 0.35
RXFP1 Q9HBX9 2/20 0.33
PTGER4 P35408 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.33
OGG1 O15527 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4751863 1.00 HSD11B1 (0.40) HSD11B1HRH3LOXL2RAB9ANPC1
SCHEMBL4751862 1.00 HSD11B1 (0.40) HSD11B1HRH3LOXL2RAB9ANPC1
SCHEMBL3751311 0.94 HSD11B1 (0.44) HSD11B1HRH3LOXL2RAB9ANPC1
SCHEMBL3748660 0.94 HSD11B1 (0.44) HSD11B1HRH3LOXL2RAB9ANPC1
SCHEMBL3741941 0.85 HSD11B1 (0.57) HSD11B1HRH3LOXL2RAB9ANPC1
SCHEMBL13046388 0.81 HSD11B1 (0.34) HSD11B1HRH3LOXL2RAB9ANPC1
SCHEMBL4696813 0.78 HSD11B1 (0.40) HSD11B1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4696816 0.78 HSD11B1 (0.40) HSD11B1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4696662 0.73 HSD11B1 (0.42) HSD11B1SMN1; SMN2ALDH1A1HPGDPER2
SCHEMBL4697992 0.73 HSD11B1 (0.42) HSD11B1SMN1; SMN2ALDH1A1HPGDPER2

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-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 EP claimed