SCHEMBL5502995

SCHEMBL5502995

O=C1CCCCN1C1CCC(O)C(Cc2ccc(-c3cccnc3)cc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP11B1 P15538 10/20 0.36
CYP11B2 P19099 9/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CNR1 P21554 1/20 0.35
CYP1A2 P05177 5/20 0.35
P2RX7 Q99572 1/20 0.34
CCR5 P51681 1/20 0.34
JAK2 O60674 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 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
SCHEMBL5499959 0.97 CYP11B1 (0.38) NPY5RMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL5500612 0.89 NPY5R (0.36) NPY5RHCRTR1HCRTR2P2RX7CCR5
SCHEMBL5504727 0.88 NPY5R (0.37) NPY5RMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL5509855 0.87 CYP11B2 (0.39) NPY5RMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL5503929 0.86 CTSS (0.36) NPY5RP2RX7
SCHEMBL5500821 0.85 CNR1 (0.38) NPY5RMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL5499996 0.82 CNR1 (0.38) MKNK1MKNK2CYP11B1CYP11B2HCRTR1
Hydrochloric Acid SCHEMBL5504549 0.81 CNR1 (0.38) MKNK1MKNK2CYP11B1CYP11B2HCRTR1
SCHEMBL5500031 0.79 P2RX7 (0.44) P2RX7
SCHEMBL5509665 0.78 CYP11B1 (0.38) MKNK1MKNK2CYP11B1CYP11B2HCRTR1

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