SCHEMBL5505728

SCHEMBL5505728

O=C1CCCN1C1C2C=CC(C2)C1Cc1ccc(-c2cccnc2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 16/20 0.37
CYP11B2 P19099 14/20 0.37
CYP1A2 P05177 5/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 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
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL5502958 0.80 KMT2A (0.35)
SCHEMBL5499996 0.79 CNR1 (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
Hydrochloric Acid SCHEMBL5504549 0.78 CNR1 (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5499959 0.77 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5509665 0.76 CYP11B1 (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5500821 0.76 CNR1 (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5504727 0.76 NPY5R (0.37) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5507834 0.74 WNT1 (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5502995 0.74 NPY5R (0.38) CYP11B1CYP11B2CYP1A2MKNK1MKNK2
SCHEMBL5500181 0.72 MKNK1 (0.37) CYP11B1CYP11B2CYP1A2MKNK1MKNK2

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