SCHEMBL5500181

SCHEMBL5500181

O=C1CCCN1C1CCC=C(Cc2ccc(-c3cccnc3)cc2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CYP11B1 P15538 13/20 0.36
CYP11B2 P19099 12/20 0.36
CNR1 P21554 1/20 0.36
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
NPY5R Q15761 1/20 0.34
CCR5 P51681 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
SCHEMBL5506443 0.80 DPP4 (0.35)
SCHEMBL5499996 0.78 CNR1 (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
Hydrochloric Acid SCHEMBL5504549 0.78 CNR1 (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5507834 0.78 WNT1 (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5499959 0.76 CYP11B1 (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5500821 0.76 CNR1 (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5504727 0.76 NPY5R (0.37) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5509665 0.74 CYP11B1 (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5502995 0.74 NPY5R (0.38) MKNK1MKNK2HCRTR1HCRTR2CYP11B1
SCHEMBL5505728 0.72 CYP11B1 (0.37) MKNK1MKNK2HCRTR1HCRTR2CYP11B1

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 4 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 claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
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