SCHEMBL5504601

SCHEMBL5504601

COc1cc(Cl)cc(Cl)c1CC1CCCC(N2CCCC2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 1/20 0.37
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
P2RX7 Q99572 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2B P41595 3/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CNR1 P21554 1/20 0.34
DPP4 P27487 2/20 0.34
PDE4B Q07343 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
F10 P00742 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL5503363 0.86 MMP13 (0.36) HCN4HTR2CHTR2BCNR1PDCD1LG2
SCHEMBL5499711 0.80 DPP4 (0.36) DPP4DPP8DPP9F10
SCHEMBL5504186 0.80 F10 (0.35) P2RX7DPP4DPP8DPP9F10
SCHEMBL5503421 0.76 F10 (0.32) DPP4DPP8DPP9F10
SCHEMBL5501423 0.75 HTR6 (0.34) HCRTR1HCRTR2DPP4DPP8DPP9
SCHEMBL5500707 0.75 F10 (0.33) DPP4DPP8DPP9F10
SCHEMBL5502855 0.75 F10 (0.33) DPP4DPP8DPP9F10
SCHEMBL5503355 0.75 MEN1 (0.34) DPP4DPP8DPP9F10
SCHEMBL5504207 0.75 MEN1 (0.33) P2RX7HTR2CHTR2BDPP4PDCD1LG2
Hydrochloric Acid SCHEMBL5506619 0.74 HTR6 (0.33) HCRTR1HCRTR2DPP4DPP8DPP9

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