SCHEMBL5501423

SCHEMBL5501423

O=C1CCCN1C1CCCC(Cc2c(Cl)cc(-c3ccncc3)cc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
HSD11B1 P28845 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
F10 P00742 1/20 0.33
NPY5R Q15761 2/20 0.32
LTA4H P09960 3/20 0.32
CCR5 P51681 1/20 0.32
GRM2 Q14416 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
KCNH2 Q12809 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
HCRTR1 O43613 1/20 0.31

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 SCHEMBL5506619 0.99 HTR6 (0.33) HTR6HSD11B1DPP4DPP8DPP9
SCHEMBL5504107 0.88 CYP11B2 (0.41) HTR6CCR5GRM2PDE5APDE1A
SCHEMBL5506180 0.88 AAK1 (0.34) HSD11B1DPP4DPP8DPP9NPY5R
Hydrochloric Acid SCHEMBL5504176 0.87 CYP11B2 (0.40) HTR6CCR5GRM2PDE5APDE1A
Hydrochloric Acid SCHEMBL5499646 0.87 AAK1 (0.33) HSD11B1DPP4DPP8DPP9NPY5R
SCHEMBL5503476 0.85 PDCD1LG2 (0.32)
Hydrochloric Acid SCHEMBL5505492 0.84 PDCD1LG2 (0.31)
SCHEMBL5501184 0.83 NPY5R (0.35) HSD11B1DPP4DPP8DPP9F10
SCHEMBL5499711 0.82 DPP4 (0.36) DPP4DPP8DPP9F10LTA4H
SCHEMBL5504186 0.82 F10 (0.35) DPP4DPP8DPP9F10NPY5R

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 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