SCHEMBL4069500

SCHEMBL4069500

CN1CCN(C(=O)c2ccc(-c3ccc(CC4CCCC(N5CCCC5=O)C4)c(Cl)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE7B Q9NP56 1/20 0.41
CHKA P35790 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Hydrochloric Acid SCHEMBL5500156 0.99 HPGD (0.42) HPGDPDE5APDE4APDE1APDE1B
SCHEMBL5509140 0.93 ERN1 (0.43) HPGDPDE5APDE1APDE1BPDE4D
Hydrochloric Acid SCHEMBL5504522 0.92 ERN1 (0.43) HPGDPDE5APDE1APDE1BPDE4D
Hydrochloric Acid SCHEMBL4066029 0.87 PDE1A (0.42) PDE1APDE1BPDE4DPDE7APDE1C
SCHEMBL4070101 0.84 PDE5A (0.36) HPGDPDE5APDE4APDE1APDE1B
SCHEMBL5499827 0.84 P2RX7 (0.34)
SCHEMBL5504232 0.83 CTSS (0.36)
SCHEMBL5506180 0.81 AAK1 (0.34) HRH3
Hydrochloric Acid SCHEMBL5499646 0.80 AAK1 (0.33) HRH3
SCHEMBL5500702 0.80 TP53BP1 (0.39) ALDH1A1L3MBTL3L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP claimed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 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 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-2016047-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-01-21 EP disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed