SCHEMBL5507834

SCHEMBL5507834

O=C1CCCN1C1CCCC(CCc2ccc(-c3cccnc3)cc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.38
DYRK1A Q13627 1/20 0.38
CNR1 P21554 1/20 0.38
CYP11B1 P15538 11/20 0.37
CYP11B2 P19099 9/20 0.37
CYP1A2 P05177 5/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
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
CCR5 P51681 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
BACE1 P56817 2/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL5499996 0.92 CNR1 (0.38) WNT1DYRK1ACNR1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5504549 0.91 CNR1 (0.38) WNT1DYRK1ACNR1CYP11B1CYP11B2
SCHEMBL5500821 0.89 CNR1 (0.38) WNT1DYRK1ACNR1CYP11B1CYP11B2
SCHEMBL5504107 0.84 CYP11B2 (0.41) CNR1CYP11B1CYP11B2CYP1A2HCRTR1
Hydrochloric Acid SCHEMBL5504176 0.83 CYP11B2 (0.40) CNR1CYP11B1CYP11B2CYP1A2HCRTR1
SCHEMBL5506141 0.81 CD38 (0.35) CCR5
SCHEMBL5499959 0.80 CYP11B1 (0.38) CNR1CYP11B1CYP11B2CYP1A2HCRTR1
SCHEMBL5506180 0.80 AAK1 (0.34) HCRTR1HCRTR2CCR5MCHR1
SCHEMBL5504170 0.80 CNR1 (0.36) CNR1CYP11B1CYP11B2CCR5
SCHEMBL5504232 0.80 CTSS (0.36) CNR1

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