SCHEMBL5509855

SCHEMBL5509855

O=C1CCCN1C1CCC(O)C(Cc2c(Cl)cc(-c3cccnc3)cc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.39
CYP11B1 P15538 6/20 0.39
CYP1A2 P05177 1/20 0.37
NPY5R Q15761 3/20 0.36
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 1/20 0.34
GRM2 Q14416 1/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3A Q14432 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
GLO1 Q04760 1/20 0.33
NR4A2 P43354 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL5499959 0.89 CYP11B1 (0.38) CYP11B2CYP11B1CYP1A2NPY5RCNR1
SCHEMBL5501184 0.89 NPY5R (0.35) NPY5RGRM2
SCHEMBL5502995 0.87 NPY5R (0.38) CYP11B2CYP11B1CYP1A2NPY5RCNR1
SCHEMBL5502793 0.85 GRM2 (0.39) CNR1GRM2
SCHEMBL5504107 0.84 CYP11B2 (0.41) CYP11B2CYP11B1CYP1A2KDM4ECNR1
Hydrochloric Acid SCHEMBL5504176 0.83 CYP11B2 (0.40) CYP11B2CYP11B1CYP1A2KDM4ECNR1
SCHEMBL5504560 0.82 BTK (0.38)
SCHEMBL3945085 0.80 CYP11B2 (0.38) CYP11B2CYP11B1CYP1A2NPY5RKDM4E
SCHEMBL5504727 0.80 NPY5R (0.37) CYP11B2CYP11B1CYP1A2NPY5RKDM4E
SCHEMBL5503441 0.78 TACR1 (0.36) NPY5R

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-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed